(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide

C19H22ClNO2 — CID 7962614

IUPAC(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C19H22ClNO2/c1-12(2)18(14-6-8-15(20)9-7-14)19(22)21-16-11-13(3)5-10-17(16)23-4/h5-12,18H,1-4H3,(H,21,22)/t18-/m0/s1
InChIKeyRNNXDEULALBNEQ-SFHVURJKSA-N
MW331.84 g/mol
LogP5.04
Rot. Bonds5

About (2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide

(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide (PubChem CID 7962614) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
PubChem CID7962614
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C19H22ClNO2/c1-12(2)18(14-6-8-15(20)9-7-14)19(22)21-16-11-13(3)5-10-17(16)23-4/h5-12,18H,1-4H3,(H,21,22)/t18-/m0/s1
InChIKeyRNNXDEULALBNEQ-SFHVURJKSA-N
XLogP5.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7900734
(2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7935933
(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 8714154
2-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-methylbutanamide
CID 43047742
(2R)-2-(2,4-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2083484
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 8738415
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
(2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 9172738
(2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide
CID 9100277
(2R)-2-acetamido-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 40917712
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)-3,3-dimethylbutanamide
CID 61149030
2-(3-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)propanamide
CID 3382354

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide (CID 7962614) is (2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide is COc1ccc(C)cc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide?
The InChIKey is RNNXDEULALBNEQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-12(2)18(14-6-8-15(20)9-7-14)19(22)21-16-11-13(3)5-10-17(16)23-4/h5-12,18H,1-4H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide?
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide has a molecular weight of 331.84 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 7962614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).