(3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide

C19H23N3O3 — CID 139038129

IUPAC(3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc([C@@H](CC(=O)NC2CCCC2)c2c(O)nc[nH]c2=O)cc1
InChIInChI=1S/C19H23N3O3/c1-12-6-8-13(9-7-12)15(17-18(24)20-11-21-19(17)25)10-16(23)22-14-4-2-3-5-14/h6-9,11,14-15H,2-5,10H2,1H3,(H,22,23)(H2,20,21,24,25)/t15-/m1/s1
InChIKeyNTSBOEIUMCMRFH-OAHLLOKOSA-N
MW341.41 g/mol
LogP2.36
Rot. Bonds5

About (3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide

(3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide (PubChem CID 139038129) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide
PubChem CID139038129
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc([C@@H](CC(=O)NC2CCCC2)c2c(O)nc[nH]c2=O)cc1
InChIInChI=1S/C19H23N3O3/c1-12-6-8-13(9-7-12)15(17-18(24)20-11-21-19(17)25)10-16(23)22-14-4-2-3-5-14/h6-9,11,14-15H,2-5,10H2,1H3,(H,22,23)(H2,20,21,24,25)/t15-/m1/s1
InChIKeyNTSBOEIUMCMRFH-OAHLLOKOSA-N
XLogP2.36
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-thiophen-2-ylpropanamide
CID 135006876
N-cyclohexyl-2-[(5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 51351835
N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide
CID 111435900
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
3-cyclopentyl-3-(4-methylphenyl)propanoic acid
CID 19938398
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
3-(cyclohexylamino)-4-hydroxy-4-(4-methylphenyl)butanoic acid
CID 82347449
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
N-cyclopropyl-2-[[6-(4-methylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]sulfanyl]acetamide
CID 135889595
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 120667696
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of (3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide (CID 139038129) is (3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for (3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for (3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide is Cc1ccc([C@@H](CC(=O)NC2CCCC2)c2c(O)nc[nH]c2=O)cc1.
What is the InChIKey of (3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is NTSBOEIUMCMRFH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-12-6-8-13(9-7-12)15(17-18(24)20-11-21-19(17)25)10-16(23)22-14-4-2-3-5-14/h6-9,11,14-15H,2-5,10H2,1H3,(H,22,23)(H2,20,21,24,25)/t15-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide?
(3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 341.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 139038129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).