(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide

C19H22ClNO2 — CID 93487077

IUPAC(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-14-6-3-4-8-18(14)23-15(2)19(22)21-13-5-7-16-9-11-17(20)12-10-16/h3-4,6,8-12,15H,5,7,13H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyRYFDHDOJELBNGZ-HNNXBMFYSA-N
MW331.84 g/mol
LogP4.16
Rot. Bonds7

About (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide

(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide (PubChem CID 93487077) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide
PubChem CID93487077
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@@H](C)C(=O)NCCCc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2/c1-14-6-3-4-8-18(14)23-15(2)19(22)21-13-5-7-16-9-11-17(20)12-10-16/h3-4,6,8-12,15H,5,7,13H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyRYFDHDOJELBNGZ-HNNXBMFYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide
CID 94011813
N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43916344
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 99950551
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 92685168
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide
CID 133211038
N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide
CID 53283656
(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide
CID 92685651
(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
CID 26546234
(2R)-2-(4-chloro-2-methylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 8709012
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 133239751
2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
CID 132762013

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide (CID 93487077) is (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide is Cc1ccccc1O[C@@H](C)C(=O)NCCCc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide?
The InChIKey is RYFDHDOJELBNGZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14-6-3-4-8-18(14)23-15(2)19(22)21-13-5-7-16-9-11-17(20)12-10-16/h3-4,6,8-12,15H,5,7,13H2,1-2H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide?
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide has a molecular weight of 331.84 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 93487077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).