2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C24H24ClN3O6 — CID 91894836

IUPAC2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)NC(c3ccc(Cl)cc3)C3=C2COC3=O)cc1OC
InChIInChI=1S/C24H24ClN3O6/c1-32-18-8-3-14(11-19(18)33-2)9-10-26-20(29)12-28-17-13-34-23(30)21(17)22(27-24(28)31)15-4-6-16(25)7-5-15/h3-8,11,22H,9-10,12-13H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyKQIDWECVVBDRJX-UHFFFAOYSA-N
MW485.92 g/mol
LogP2.59
Rot. Bonds8

About 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 91894836) has the molecular formula C24H24ClN3O6 and a molecular weight of 485.92 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID91894836
Molecular FormulaC24H24ClN3O6
Molecular Weight485.92 g/mol
Exact Mass485.14
IUPAC Name2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)NC(c3ccc(Cl)cc3)C3=C2COC3=O)cc1OC
InChIInChI=1S/C24H24ClN3O6/c1-32-18-8-3-14(11-19(18)33-2)9-10-26-20(29)12-28-17-13-34-23(30)21(17)22(27-24(28)31)15-4-6-16(25)7-5-15/h3-8,11,22H,9-10,12-13H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyKQIDWECVVBDRJX-UHFFFAOYSA-N
XLogP2.59
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.92
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide with MolForge

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Related Compounds

1,3-Benzodioxol-5-ylmethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2854508
3-(4-Chlorophenyl)-3-[[3-methoxy-4-[2-(3-methyl-2,6-dioxopyrimidin-1-yl)ethoxy]phenyl]methyl-(2-methylpropyl)amino]propanoic acid
CID 72549349
(3S)-3-(4-chlorophenyl)-3-[[3-methoxy-4-[2-(3-methyl-2,6-dioxopyrimidin-1-yl)ethoxy]phenyl]methyl-(2-methylpropyl)amino]propanoic acid
CID 72549350
(3R)-3-(4-chlorophenyl)-3-[[3-methoxy-4-[2-(3-methyl-2,6-dioxopyrimidin-1-yl)ethoxy]phenyl]methyl-(2-methylpropyl)amino]propanoic acid
CID 72549588
3-(4-Chlorophenyl)-3-[ethyl-[[3-methoxy-4-[2-(3-methyl-2,6-dioxopyrimidin-1-yl)ethoxy]phenyl]methyl]amino]propanoic acid
CID 72549596
3-[Butyl-[[3-methoxy-4-[2-(3-methyl-2,6-dioxopyrimidin-1-yl)ethoxy]phenyl]methyl]amino]-3-(4-chlorophenyl)propanoic acid
CID 90014385
3-(4-Chlorophenyl)-3-[[3-methoxy-4-[2-(3-methyl-2,6-dioxopyrimidin-1-yl)ethoxy]phenyl]methyl-propylamino]propanoic acid
CID 90014726
Ethyl 4-(1,3-benzodioxol-5-yl)-6-({[2-(4-methoxyphenoxy)ethyl]amino}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 4916904
ethyl 4-(4-chlorophenyl)-2-oxo-6-(phenoxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 5461426
4-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2891740
6-(3,4-dimethoxyphenethyl)-1-methyl-4-phenyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 658794
4-chloro-N-[(Z)-1-(3,4-dimethoxyphenyl)-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
CID 2891778

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 91894836) is 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN2C(=O)NC(c3ccc(Cl)cc3)C3=C2COC3=O)cc1OC.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is KQIDWECVVBDRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O6/c1-32-18-8-3-14(11-19(18)33-2)9-10-26-20(29)12-28-17-13-34-23(30)21(17)22(27-24(28)31)15-4-6-16(25)7-5-15/h3-8,11,22H,9-10,12-13H2,1-2H3,(H,26,29)(H,27,31).
What are the key properties of 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 485.92 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 91894836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).