N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide

C20H25N3O4 — CID 143465875

IUPACN-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide
SMILESCCNC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCCOC2(C)C
InChIInChI=1S/C20H25N3O4/c1-4-21-17(24)15-16(26-13-14-9-6-5-7-10-14)18(25)23-11-8-12-27-20(2,3)19(23)22-15/h5-7,9-10H,4,8,11-13H2,1-3H3,(H,21,24)
InChIKeyVUCIFATVWNOUNV-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.23
Rot. Bonds5

About N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide

N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide (PubChem CID 143465875) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide
PubChem CID143465875
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide
SMILESCCNC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCCOC2(C)C
InChIInChI=1S/C20H25N3O4/c1-4-21-17(24)15-16(26-13-14-9-6-5-7-10-14)18(25)23-11-8-12-27-20(2,3)19(23)22-15/h5-7,9-10H,4,8,11-13H2,1-3H3,(H,21,24)
InChIKeyVUCIFATVWNOUNV-UHFFFAOYSA-N
XLogP2.23
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide with MolForge

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Related Compounds

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
10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carbaldehyde
CID 143465881
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
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-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
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-[[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
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-[(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
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
ethane;ethyl 8,8-dimethyl-4-oxo-3-phenylmethoxy-6,7-dihydropyrrolo[1,2-a]pyrimidine-2-carboxylate
CID 143150186

Frequently Asked Questions

What is the IUPAC name of N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide?
The IUPAC name of N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide (CID 143465875) is N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide.
What is the SMILES notation for N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide?
The canonical SMILES for N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide is CCNC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCCOC2(C)C.
What is the InChIKey of N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide?
The InChIKey is VUCIFATVWNOUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-21-17(24)15-16(26-13-14-9-6-5-7-10-14)18(25)23-11-8-12-27-20(2,3)19(23)22-15/h5-7,9-10H,4,8,11-13H2,1-3H3,(H,21,24).
What are the key properties of N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide?
N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-10,10-dimethyl-4-oxo-3-phenylmethoxy-7,8-dihydro-6H-pyrimido[2,1-c][1,4]oxazepine-2-carboxamide is sourced from PubChem (CID 143465875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).