N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide

C16H23NO2 — CID 110626464

IUPACN-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCC1(O)CCCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(14-7-3-2-4-8-14)11-15(18)17-12-16(19)9-5-6-10-16/h2-4,7-8,13,19H,5-6,9-12H2,1H3,(H,17,18)
InChIKeyBNWGKSOCKFMBDH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.60
Rot. Bonds5

About N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide

N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide (PubChem CID 110626464) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
PubChem CID110626464
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCC1(O)CCCC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(14-7-3-2-4-8-14)11-15(18)17-12-16(19)9-5-6-10-16/h2-4,7-8,13,19H,5-6,9-12H2,1H3,(H,17,18)
InChIKeyBNWGKSOCKFMBDH-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(dimethylamino)cyclohexyl]methyl]-3-phenylbutanamide
CID 4787583
3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 111485734
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
N-[(4-hydroxyoxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide
CID 111486235
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
CID 65105279
1-(2-phenylpropyl)cyclopentan-1-ol
CID 173409519
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
CID 115643598
N-[(4-hydroxyoxan-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]butanamide
CID 111486072
(3S)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 8012205
(3R)-N-(3,3-diphenylpropyl)-3-phenylbutanamide
CID 40629946

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide (CID 110626464) is N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide is CC(CC(=O)NCC1(O)CCCC1)c1ccccc1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide?
The InChIKey is BNWGKSOCKFMBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(14-7-3-2-4-8-14)11-15(18)17-12-16(19)9-5-6-10-16/h2-4,7-8,13,19H,5-6,9-12H2,1H3,(H,17,18).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide?
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide has a molecular weight of 261.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide is sourced from PubChem (CID 110626464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).