(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide

C20H24ClNO3 — CID 99133193

IUPAC(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
SMILESCCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C20H24ClNO3/c1-4-19(25-17-10-11-18(21)14(3)12-17)20(23)22-13-15-6-8-16(9-7-15)24-5-2/h6-12,19H,4-5,13H2,1-3H3,(H,22,23)/t19-/m0/s1
InChIKeyBVHKRKCDCYHFIR-IBGZPJMESA-N
MW361.87 g/mol
LogP4.52
Rot. Bonds8

About (2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide

(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide (PubChem CID 99133193) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
PubChem CID99133193
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
SMILESCCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C20H24ClNO3/c1-4-19(25-17-10-11-18(21)14(3)12-17)20(23)22-13-15-6-8-16(9-7-15)24-5-2/h6-12,19H,4-5,13H2,1-3H3,(H,22,23)/t19-/m0/s1
InChIKeyBVHKRKCDCYHFIR-IBGZPJMESA-N
XLogP4.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53289034
2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 13232165
2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53289156
2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53284415
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99133250
N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
CID 53288894
2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 132663080
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43876756
2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 46778407
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide
CID 132659523
(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 99131710

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide (CID 99133193) is (2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide is CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide?
The InChIKey is BVHKRKCDCYHFIR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-4-19(25-17-10-11-18(21)14(3)12-17)20(23)22-13-15-6-8-16(9-7-15)24-5-2/h6-12,19H,4-5,13H2,1-3H3,(H,22,23)/t19-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide?
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide has a molecular weight of 361.87 g/mol, XLogP of 4.52, 8 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-[(4-ethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 99133193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).