N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide

C19H28N2O3 — CID 109478424

IUPACN-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide
SMILESCC(CC(O)c1ccccc1)NC(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C19H28N2O3/c1-14(13-17(22)15-7-3-2-4-8-15)20-18(23)11-12-19(24)21-16-9-5-6-10-16/h2-4,7-8,14,16-17,22H,5-6,9-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyMMOGRMMSRUDUQT-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.45
Rot. Bonds8

About N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide

N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide (PubChem CID 109478424) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide
PubChem CID109478424
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide
SMILESCC(CC(O)c1ccccc1)NC(=O)CCC(=O)NC1CCCC1
InChIInChI=1S/C19H28N2O3/c1-14(13-17(22)15-7-3-2-4-8-15)20-18(23)11-12-19(24)21-16-9-5-6-10-16/h2-4,7-8,14,16-17,22H,5-6,9-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyMMOGRMMSRUDUQT-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclododecyl-N'-(1-phenylethyl)butanediamide
CID 4025526
4-amino-N-(4-hydroxy-4-phenylbutan-2-yl)butanamide
CID 119337613
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-cycloheptyl-2-[(3-hydroxy-3-phenylpropyl)-methylamino]acetamide
CID 91835840
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119808311
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 71919961
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-3-(5-methylfuran-2-yl)propanamide
CID 97071411
N-(4-hydroxy-4-phenylbutan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119337585
N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
CID 39963895
3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119808297
(2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide
CID 8005843

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide?
The IUPAC name of N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide (CID 109478424) is N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide.
What is the SMILES notation for N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide?
The canonical SMILES for N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide is CC(CC(O)c1ccccc1)NC(=O)CCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide?
The InChIKey is MMOGRMMSRUDUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(13-17(22)15-7-3-2-4-8-15)20-18(23)11-12-19(24)21-16-9-5-6-10-16/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-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide?
N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide has a molecular weight of 332.44 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(4-hydroxy-4-phenylbutan-2-yl)butanediamide is sourced from PubChem (CID 109478424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).