3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide

C12H17ClN2O3 — CID 60836807

IUPAC3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
SMILESCOc1cc(OC)c(NC(=O)CC(C)N)cc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-7(14)4-12(16)15-9-5-8(13)10(17-2)6-11(9)18-3/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyOCFAUKBIKFRAHD-UHFFFAOYSA-N
MW272.73 g/mol
LogP2.03
Rot. Bonds5

About 3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide

3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide (PubChem CID 60836807) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
PubChem CID60836807
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
SMILESCOc1cc(OC)c(NC(=O)CC(C)N)cc1Cl
InChIInChI=1S/C12H17ClN2O3/c1-7(14)4-12(16)15-9-5-8(13)10(17-2)6-11(9)18-3/h5-7H,4,14H2,1-3H3,(H,15,16)
InChIKeyOCFAUKBIKFRAHD-UHFFFAOYSA-N
XLogP2.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide
CID 81070242
N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide
CID 47410572
3-amino-N-(2-methoxy-4-methylphenyl)butanamide
CID 60928646
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
5-amino-N-(4-chloro-2,5-dimethoxyphenyl)hexanamide
CID 82848785
(2S,3S)-2-amino-N-(5-chloro-2,4-dimethoxyphenyl)-3-methylpentanamide
CID 28515111
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride
CID 120586930
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
(3S)-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylbutanamide
CID 2286946
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 113001550

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide?
The IUPAC name of 3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide (CID 60836807) is 3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide?
The canonical SMILES for 3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide is COc1cc(OC)c(NC(=O)CC(C)N)cc1Cl.
What is the InChIKey of 3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide?
The InChIKey is OCFAUKBIKFRAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-7(14)4-12(16)15-9-5-8(13)10(17-2)6-11(9)18-3/h5-7H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide?
3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide has a molecular weight of 272.73 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 60836807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).