N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

C19H28N2O3 — CID 111102571

IUPACN-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)NCC(O)Cc1ccccc1)NC(=O)C1CCCC1
InChIInChI=1S/C19H28N2O3/c1-14(21-19(24)16-9-5-6-10-16)11-18(23)20-13-17(22)12-15-7-3-2-4-8-15/h2-4,7-8,14,16-17,22H,5-6,9-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyKYPIADOOWDTJDY-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.79
Rot. Bonds8

About N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 111102571) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID111102571
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)NCC(O)Cc1ccccc1)NC(=O)C1CCCC1
InChIInChI=1S/C19H28N2O3/c1-14(21-19(24)16-9-5-6-10-16)11-18(23)20-13-17(22)12-15-7-3-2-4-8-15/h2-4,7-8,14,16-17,22H,5-6,9-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyKYPIADOOWDTJDY-UHFFFAOYSA-N
XLogP1.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673460
N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 120831062
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]-2-phenylacetic acid
CID 119367850
N-[(2R)-4-[benzyl(ethyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 95322825
N-(2-hydroxy-3-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119317160
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 111386383
N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599
4-[3-(cyclopentanecarbonylamino)butanoylamino]-4-phenylbutanoic acid
CID 119201424
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
N-(1-bromo-3-phenylpropan-2-yl)cycloheptanecarboxamide
CID 114311229
N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
CID 111425941
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 111102571) is N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is CC(CC(=O)NCC(O)Cc1ccccc1)NC(=O)C1CCCC1.
What is the InChIKey of N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is KYPIADOOWDTJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(21-19(24)16-9-5-6-10-16)11-18(23)20-13-17(22)12-15-7-3-2-4-8-15/h2-4,7-8,14,16-17,22H,5-6,9-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 332.44 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-hydroxy-3-phenylpropyl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 111102571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).