N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide

C16H23NO2 — CID 106123788

IUPACN-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide
SMILESCC(C(=O)NCC1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-12(14-5-3-2-4-6-14)16(19)17-11-13-7-9-15(18)10-8-13/h2-6,12-13,15,18H,7-11H2,1H3,(H,17,19)
InChIKeyCPCIQHDJISSRLI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.46
Rot. Bonds4

About N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide

N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide (PubChem CID 106123788) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide
PubChem CID106123788
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide
SMILESCC(C(=O)NCC1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-12(14-5-3-2-4-6-14)16(19)17-11-13-7-9-15(18)10-8-13/h2-6,12-13,15,18H,7-11H2,1H3,(H,17,19)
InChIKeyCPCIQHDJISSRLI-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770
N-[(3-hydroxycyclopentyl)methyl]-2-(3-nitrophenyl)propanamide
CID 106704157
2-(3-benzoylphenyl)-N-(cyclohexylmethyl)propanamide
CID 46211146
2-amino-N-[(4-hydroxycyclohexyl)methyl]-4-phenylbutanamide
CID 106135501
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide
CID 106121936
N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106123043
(2S)-2-phenyl-N-[[4-(5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
CID 98133618
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide
CID 62876968
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 70678323
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122
N-[(4-hydroxycyclohexyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 106135488

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide (CID 106123788) is N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide is CC(C(=O)NCC1CCC(O)CC1)c1ccccc1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide?
The InChIKey is CPCIQHDJISSRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(14-5-3-2-4-6-14)16(19)17-11-13-7-9-15(18)10-8-13/h2-6,12-13,15,18H,7-11H2,1H3,(H,17,19).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide?
N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide has a molecular weight of 261.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 106123788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).