(2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide

C24H32ClNO2 — CID 27522422

IUPAC(2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide
SMILESCC[C@H](C)c1ccc([C@@H](CC)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C24H32ClNO2/c1-7-15(3)19-9-11-20(12-10-19)22(8-2)26-24(27)18(6)28-21-13-16(4)23(25)17(5)14-21/h9-15,18,22H,7-8H2,1-6H3,(H,26,27)/t15-,18+,22+/m0/s1
InChIKeyZSUHTMILDZBVAM-QXATTWAWSA-N
MW401.98 g/mol
LogP6.51
Rot. Bonds8

About (2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide

(2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide (PubChem CID 27522422) has the molecular formula C24H32ClNO2 and a molecular weight of 401.98 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide
PubChem CID27522422
Molecular FormulaC24H32ClNO2
Molecular Weight401.98 g/mol
Exact Mass401.21
IUPAC Name(2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide
SMILESCC[C@H](C)c1ccc([C@@H](CC)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C24H32ClNO2/c1-7-15(3)19-9-11-20(12-10-19)22(8-2)26-24(27)18(6)28-21-13-16(4)23(25)17(5)14-21/h9-15,18,22H,7-8H2,1-6H3,(H,26,27)/t15-,18+,22+/m0/s1
InChIKeyZSUHTMILDZBVAM-QXATTWAWSA-N
XLogP6.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.98
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide
CID 17328049
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 30394470
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328406
(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 94843776
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92680978
(2S)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 99130932
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 99130933
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100772095
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100772091
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94008271
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 734857
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide (CID 27522422) is (2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide is CC[C@H](C)c1ccc([C@@H](CC)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1.
What is the InChIKey of (2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide?
The InChIKey is ZSUHTMILDZBVAM-QXATTWAWSA-N. The full InChI is InChI=1S/C24H32ClNO2/c1-7-15(3)19-9-11-20(12-10-19)22(8-2)26-24(27)18(6)28-21-13-16(4)23(25)17(5)14-21/h9-15,18,22H,7-8H2,1-6H3,(H,26,27)/t15-,18+,22+/m0/s1.
What are the key properties of (2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide?
(2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide has a molecular weight of 401.98 g/mol, XLogP of 6.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 27522422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).