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

C20H24ClNO2 — CID 94011813

IUPAC(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H24ClNO2/c1-14-6-4-8-19(15(14)2)24-16(3)20(23)22-13-5-7-17-9-11-18(21)12-10-17/h4,6,8-12,16H,5,7,13H2,1-3H3,(H,22,23)/t16-/m0/s1
InChIKeyMERHZGJRWGITRZ-INIZCTEOSA-N
MW345.87 g/mol
LogP4.47
Rot. Bonds7

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

(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide (PubChem CID 94011813) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide
PubChem CID94011813
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H24ClNO2/c1-14-6-4-8-19(15(14)2)24-16(3)20(23)22-13-5-7-17-9-11-18(21)12-10-17/h4,6,8-12,16H,5,7,13H2,1-3H3,(H,22,23)/t16-/m0/s1
InChIKeyMERHZGJRWGITRZ-INIZCTEOSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.47
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-methylphenoxy)propanamide
CID 93487077
(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
CID 26546234
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 99950551
N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43916344
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 39710056
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 28572831
N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide
CID 133240114
N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43905153
(2R)-2-(4-chlorophenoxy)-N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]propanehydrazide
CID 26250791
(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 92676986
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
(2R)-N-[2-(4-chlorophenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100541446

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide (CID 94011813) is (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide is Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccc(Cl)cc2)c1C.
What is the InChIKey of (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide?
The InChIKey is MERHZGJRWGITRZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-14-6-4-8-19(15(14)2)24-16(3)20(23)22-13-5-7-17-9-11-18(21)12-10-17/h4,6,8-12,16H,5,7,13H2,1-3H3,(H,22,23)/t16-/m0/s1.
What are the key properties of (2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide?
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2,3-dimethylphenoxy)propanamide has a molecular weight of 345.87 g/mol, XLogP of 4.47, 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-(2,3-dimethylphenoxy)propanamide is sourced from PubChem (CID 94011813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).