N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide

C17H23N3O3 — CID 171646905

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)C2CC3CNC(=O)NC3C2)cc1
InChIInChI=1S/C17H23N3O3/c1-10(11-3-5-14(23-2)6-4-11)19-16(21)12-7-13-9-18-17(22)20-15(13)8-12/h3-6,10,12-13,15H,7-9H2,1-2H3,(H,19,21)(H2,18,20,22)/t10-,12?,13?,15?/m1/s1
InChIKeyWRGYRQOQXDHCLL-ZBFOYUMQSA-N
MW317.39 g/mol
LogP1.58
Rot. Bonds4

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide (PubChem CID 171646905) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide
PubChem CID171646905
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)C2CC3CNC(=O)NC3C2)cc1
InChIInChI=1S/C17H23N3O3/c1-10(11-3-5-14(23-2)6-4-11)19-16(21)12-7-13-9-18-17(22)20-15(13)8-12/h3-6,10,12-13,15H,7-9H2,1-2H3,(H,19,21)(H2,18,20,22)/t10-,12?,13?,15?/m1/s1
InChIKeyWRGYRQOQXDHCLL-ZBFOYUMQSA-N
XLogP1.58
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-2-(5-methyl-2-oxo-1,3-diazinan-4-yl)cyclopropane-1-carboxamide
CID 171646812
N-[1-(4-methoxyphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119280185
trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
(1S,2S,3S,4R)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11921975
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 97105682
N-[1-(4-methoxyphenyl)ethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893283
(3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 99970387
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79385324
(4R)-N-[(S)-(4-fluorophenyl)-(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 97063485
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46921272
N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide
CID 169417638

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide (CID 171646905) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide is COc1ccc([C@@H](C)NC(=O)C2CC3CNC(=O)NC3C2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide?
The InChIKey is WRGYRQOQXDHCLL-ZBFOYUMQSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10(11-3-5-14(23-2)6-4-11)19-16(21)12-7-13-9-18-17(22)20-15(13)8-12/h3-6,10,12-13,15H,7-9H2,1-2H3,(H,19,21)(H2,18,20,22)/t10-,12?,13?,15?/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide is sourced from PubChem (CID 171646905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).