acetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione

C51H52N8O15 — CID 157484701

IUPACacetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione
SMILESCC(=O)O.CC1(C)OCCn2c1nc(C(=O)NCc1ccccc1N)c(OCc1ccccc1)c2=O.CC1(C)OCCn2c1nc(C(=O)NCc1ccccc1N1C(=O)C=CC1=O)c(O)c2=O.O=C1C=CC(=O)O1
InChIInChI=1S/C24H26N4O4.C21H20N4O6.C4H2O3.C2H4O2/c1-24(2)23-27-19(21(29)26-14-17-10-6-7-11-18(17)25)20(22(30)28(23)12-13-32-24)31-15-16-8-4-3-5-9-16;1-21(2)20-23-16(17(28)19(30)24(20)9-10-31-21)18(29)22-11-12-5-3-4-6-13(12)25-14(26)7-8-15(25)27;5-3-1-2-4(6)7-3;1-2(3)4/h3-11H,12-15,25H2,1-2H3,(H,26,29);3-8,28H,9-11H2,1-2H3,(H,22,29);1-2H;1H3,(H,3,4)
InChIKeyBFVYMXVMKSUZCS-UHFFFAOYSA-N
MW1017.02 g/mol
LogP2.89
Rot. Bonds10

About acetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione

acetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione (PubChem CID 157484701) has the molecular formula C51H52N8O15 and a molecular weight of 1017.02 g/mol. Its IUPAC name is acetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione.

Molecular Properties

Compound Nameacetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione
PubChem CID157484701
Molecular FormulaC51H52N8O15
Molecular Weight1017.02 g/mol
Exact Mass1016.36
IUPAC Nameacetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione
SMILESCC(=O)O.CC1(C)OCCn2c1nc(C(=O)NCc1ccccc1N)c(OCc1ccccc1)c2=O.CC1(C)OCCn2c1nc(C(=O)NCc1ccccc1N1C(=O)C=CC1=O)c(O)c2=O.O=C1C=CC(=O)O1
InChIInChI=1S/C24H26N4O4.C21H20N4O6.C4H2O3.C2H4O2/c1-24(2)23-27-19(21(29)26-14-17-10-6-7-11-18(17)25)20(22(30)28(23)12-13-32-24)31-15-16-8-4-3-5-9-16;1-21(2)20-23-16(17(28)19(30)24(20)9-10-31-21)18(29)22-11-12-5-3-4-6-13(12)25-14(26)7-8-15(25)27;5-3-1-2-4(6)7-3;1-2(3)4/h3-11H,12-15,25H2,1-2H3,(H,26,29);3-8,28H,9-11H2,1-2H3,(H,22,29);1-2H;1H3,(H,3,4)
InChIKeyBFVYMXVMKSUZCS-UHFFFAOYSA-N
XLogP2.89
TPSA319.97 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.02
LogP ≤ 52.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze acetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;ethane
CID 143149725
9,9-dimethyl-N-[[2-(3-methyl-1,2,4-triazol-1-yl)phenyl]methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21069979
9,9-dimethyl-N-[(5-methylsulfanylfuran-2-yl)methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 59646783
N-[(4-fluoro-2-methylphenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 58703935
acetamide;N-[(4-fluorophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 143478015
3-hydroxy-9,9-dimethyl-4-oxo-N-[[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54679969
N-[[2-(2-aminoethylcarbamoyl)-4-fluorophenyl]methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21069974
N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide
CID 143465875
N-[[2-[(2R)-2-(aminomethyl)-5-oxopyrrolidin-1-yl]-4-fluorophenyl]methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 58801062
9,9-dimethyl-N-[[4-methyl-2-(3-methylsulfonylprop-1-ynyl)phenyl]methyl]-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 143149693
N-[[2-(cyclopropylcarbamoyl)-4-fluorophenyl]methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 21069990
N-[[2-(4-cyanophenyl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717491

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione?
The IUPAC name of acetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione (CID 157484701) is acetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione.
What is the SMILES notation for acetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione?
The canonical SMILES for acetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione is CC(=O)O.CC1(C)OCCn2c1nc(C(=O)NCc1ccccc1N)c(OCc1ccccc1)c2=O.CC1(C)OCCn2c1nc(C(=O)NCc1ccccc1N1C(=O)C=CC1=O)c(O)c2=O.O=C1C=CC(=O)O1.
What is the InChIKey of acetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione?
The InChIKey is BFVYMXVMKSUZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4.C21H20N4O6.C4H2O3.C2H4O2/c1-24(2)23-27-19(21(29)26-14-17-10-6-7-11-18(17)25)20(22(30)28(23)12-13-32-24)31-15-16-8-4-3-5-9-16;1-21(2)20-23-16(17(28)19(30)24(20)9-10-31-21)18(29)22-11-12-5-3-4-6-13(12)25-14(26)7-8-15(25)27;5-3-1-2-4(6)7-3;1-2(3)4/h3-11H,12-15,25H2,1-2H3,(H,26,29);3-8,28H,9-11H2,1-2H3,(H,22,29);1-2H;1H3,(H,3,4).
What are the key properties of acetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione?
acetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione has a molecular weight of 1017.02 g/mol, XLogP of 2.89, 10 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[(2-aminophenyl)methyl]-9,9-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;N-[[2-(2,5-dioxopyrrol-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide;furan-2,5-dione is sourced from PubChem (CID 157484701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).