(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide

C16H23NO2 — CID 95900718

IUPAC(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H23NO2/c1-13(19-15-10-6-3-7-11-15)16(18)17-12-14-8-4-2-5-9-14/h3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyQCRWGPZUMRLGAO-ZDUSSCGKSA-N
MW261.37 g/mol
LogP3.15
Rot. Bonds5

About (2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide

(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide (PubChem CID 95900718) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
PubChem CID95900718
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H23NO2/c1-13(19-15-10-6-3-7-11-15)16(18)17-12-14-8-4-2-5-9-14/h3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyQCRWGPZUMRLGAO-ZDUSSCGKSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
2-(4-acetylphenoxy)-N-(cyclohexylmethyl)propanamide
CID 4883415
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 49065807
(2R)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566093
(2S)-N-(cyclohexylmethyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100566102
N-ethyl-2-phenoxypropanamide
CID 4282518
(2R)-2-(3-chloro-4-fluorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 7751170
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
N-[2-(azepan-1-yl)ethyl]-2-phenoxypropanamide
CID 86929905

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide?
The IUPAC name of (2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide (CID 95900718) is (2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)NCC1CCCCC1.
What is the InChIKey of (2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide?
The InChIKey is QCRWGPZUMRLGAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(19-15-10-6-3-7-11-15)16(18)17-12-14-8-4-2-5-9-14/h3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide?
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide has a molecular weight of 261.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide is sourced from PubChem (CID 95900718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).