(2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide

C22H28ClNO2 — CID 7935933

IUPAC(2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C22H28ClNO2/c1-14(2)20(15-7-10-17(23)11-8-15)21(25)24-18-13-16(22(3,4)5)9-12-19(18)26-6/h7-14,20H,1-6H3,(H,24,25)/t20-/m0/s1
InChIKeyOIEWGQBGZCFFCH-FQEVSTJZSA-N
MW373.92 g/mol
LogP6.02
Rot. Bonds5

About (2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide

(2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide (PubChem CID 7935933) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is (2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
PubChem CID7935933
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name(2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C22H28ClNO2/c1-14(2)20(15-7-10-17(23)11-8-15)21(25)24-18-13-16(22(3,4)5)9-12-19(18)26-6/h7-14,20H,1-6H3,(H,24,25)/t20-/m0/s1
InChIKeyOIEWGQBGZCFFCH-FQEVSTJZSA-N
XLogP6.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.92
LogP ≤ 56.02
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)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 7962614
(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-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
CID 7935956
(2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide
CID 9100277
(2S)-2-(4-chlorophenyl)-N-(2,5-difluorophenyl)-3-methylbutanamide
CID 7958855
2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 42909302
1-(5-tert-butyl-2-methoxyphenyl)-3-(4-propan-2-ylphenyl)thiourea
CID 2954071
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide?
The IUPAC name of (2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide (CID 7935933) is (2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide?
The canonical SMILES for (2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide is COc1ccc(C(C)(C)C)cc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of (2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide?
The InChIKey is OIEWGQBGZCFFCH-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28ClNO2/c1-14(2)20(15-7-10-17(23)11-8-15)21(25)24-18-13-16(22(3,4)5)9-12-19(18)26-6/h7-14,20H,1-6H3,(H,24,25)/t20-/m0/s1.
What are the key properties of (2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide?
(2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide has a molecular weight of 373.92 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 7935933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).