(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide

C21H26ClNO3 — CID 100772095

IUPAC(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
SMILESCC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C21H26ClNO3/c1-6-19(16-7-10-20(25-5)14(3)11-16)23-21(24)15(4)26-17-8-9-18(22)13(2)12-17/h7-12,15,19H,6H2,1-5H3,(H,23,24)/t15-,19+/m0/s1
InChIKeyHMVPFSSCDOJUCY-HNAYVOBHSA-N
MW375.90 g/mol
LogP5.00
Rot. Bonds7

About (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide

(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide (PubChem CID 100772095) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
PubChem CID100772095
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
SMILESCC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C21H26ClNO3/c1-6-19(16-7-10-20(25-5)14(3)11-16)23-21(24)15(4)26-17-8-9-18(22)13(2)12-17/h7-12,15,19H,6H2,1-5H3,(H,23,24)/t15-,19+/m0/s1
InChIKeyHMVPFSSCDOJUCY-HNAYVOBHSA-N
XLogP5.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.90
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide with MolForge

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Related Compounds

(2R)-2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100772091
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methoxyphenoxy)propanamide
CID 133186771
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328406
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 133160157
(2S)-2-(3,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]butanamide
CID 100759702
2-(2,4-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133178453
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 133166359
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133201746
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 99132320
N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132652272
5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133164754
(2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 27522422

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide?
The IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide (CID 100772095) is (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide?
The canonical SMILES for (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide is CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1)c1ccc(OC)c(C)c1.
What is the InChIKey of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide?
The InChIKey is HMVPFSSCDOJUCY-HNAYVOBHSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-6-19(16-7-10-20(25-5)14(3)11-16)23-21(24)15(4)26-17-8-9-18(22)13(2)12-17/h7-12,15,19H,6H2,1-5H3,(H,23,24)/t15-,19+/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide?
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide has a molecular weight of 375.90 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide is sourced from PubChem (CID 100772095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).