N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide

C16H21NO3 — CID 110004037

IUPACN-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide
SMILESCC(O)CC(CNC(=O)C1CC(=O)C1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-11(18)7-14(12-5-3-2-4-6-12)10-17-16(20)13-8-15(19)9-13/h2-6,11,13-14,18H,7-10H2,1H3,(H,17,20)
InChIKeyGZCSKRVEIBSIDO-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.64
Rot. Bonds6

About N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide

N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide (PubChem CID 110004037) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide
PubChem CID110004037
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide
SMILESCC(O)CC(CNC(=O)C1CC(=O)C1)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-11(18)7-14(12-5-3-2-4-6-12)10-17-16(20)13-8-15(19)9-13/h2-6,11,13-14,18H,7-10H2,1H3,(H,17,20)
InChIKeyGZCSKRVEIBSIDO-UHFFFAOYSA-N
XLogP1.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide
CID 119821976
tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate
CID 97086612
4-amino-N-(4-hydroxy-2-phenylpentyl)pentanamide
CID 120564094
2-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylpropanamide;hydrochloride
CID 119345419
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483
N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-1,2-oxazole-3-carboxamide
CID 97086628
4-phenylheptane-2,6-diol
CID 173150769
5-(cyclobutylamino)-4-phenylpentan-2-ol
CID 110021962
2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide
CID 97086616
N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride
CID 119821967
2-amino-N-(4-hydroxy-2-phenylpentyl)pentanamide;hydrochloride
CID 119345437
N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703911

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide?
The IUPAC name of N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide (CID 110004037) is N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide is CC(O)CC(CNC(=O)C1CC(=O)C1)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide?
The InChIKey is GZCSKRVEIBSIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(18)7-14(12-5-3-2-4-6-12)10-17-16(20)13-8-15(19)9-13/h2-6,11,13-14,18H,7-10H2,1H3,(H,17,20).
What are the key properties of N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide?
N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-phenylpentyl)-3-oxocyclobutane-1-carboxamide is sourced from PubChem (CID 110004037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).