(2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide

C20H24ClNO3 — CID 9100277

IUPAC(2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide
SMILESCCOc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1OC
InChIInChI=1S/C20H24ClNO3/c1-5-25-17-11-10-16(12-18(17)24-4)22-20(23)19(13(2)3)14-6-8-15(21)9-7-14/h6-13,19H,5H2,1-4H3,(H,22,23)/t19-/m0/s1
InChIKeyMJTOCYXOQYAGKK-IBGZPJMESA-N
MW361.87 g/mol
LogP5.13
Rot. Bonds7

About (2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide

(2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide (PubChem CID 9100277) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide
PubChem CID9100277
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name(2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide
SMILESCCOc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1OC
InChIInChI=1S/C20H24ClNO3/c1-5-25-17-11-10-16(12-18(17)24-4)22-20(23)19(13(2)3)14-6-8-15(21)9-7-14/h6-13,19H,5H2,1-4H3,(H,22,23)/t19-/m0/s1
InChIKeyMJTOCYXOQYAGKK-IBGZPJMESA-N
XLogP5.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.87
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7900734
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7416196
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119688392
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508
(2S)-2-(4-chlorophenyl)-N-(6-methoxy-3-pyridinyl)-3-methylbutanamide
CID 9210800
(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 2088418
N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 42916532
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119286185
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119
(2S)-N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7935933

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide (CID 9100277) is (2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide is CCOc1ccc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)C)cc1OC.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide?
The InChIKey is MJTOCYXOQYAGKK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-5-25-17-11-10-16(12-18(17)24-4)22-20(23)19(13(2)3)14-6-8-15(21)9-7-14/h6-13,19H,5H2,1-4H3,(H,22,23)/t19-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide?
(2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide has a molecular weight of 361.87 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 9100277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).