(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide

C19H22ClNO4 — CID 29419335

IUPAC(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H22ClNO4/c1-4-16(25-15-8-6-14(20)7-9-15)19(22)21-12-13-5-10-17(23-2)18(11-13)24-3/h5-11,16H,4,12H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyWVHQUXYNYBBOKG-INIZCTEOSA-N
MW363.84 g/mol
LogP3.83
Rot. Bonds8

About (2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide

(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide (PubChem CID 29419335) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
PubChem CID29419335
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H22ClNO4/c1-4-16(25-15-8-6-14(20)7-9-15)19(22)21-12-13-5-10-17(23-2)18(11-13)24-3/h5-11,16H,4,12H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyWVHQUXYNYBBOKG-INIZCTEOSA-N
XLogP3.83
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659526
2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide
CID 132659523
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 38003558
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 46769433
2-(4-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218872
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 71230209
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
CID 54776981
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluorophenoxy)butanamide
CID 99817873
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 99131305

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide (CID 29419335) is (2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide is CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide?
The InChIKey is WVHQUXYNYBBOKG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-4-16(25-15-8-6-14(20)7-9-15)19(22)21-12-13-5-10-17(23-2)18(11-13)24-3/h5-11,16H,4,12H2,1-3H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide?
(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide has a molecular weight of 363.84 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 29419335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).