4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide

C12H17ClN2O2 — CID 103154240

IUPAC4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C12H17ClN2O2/c1-8-5-9(13)3-4-11(8)15-12(16)6-10(7-14)17-2/h3-5,10H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyNIECWXBDKNBJCK-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.95
Rot. Bonds5

About 4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide

4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide (PubChem CID 103154240) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
PubChem CID103154240
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C12H17ClN2O2/c1-8-5-9(13)3-4-11(8)15-12(16)6-10(7-14)17-2/h3-5,10H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyNIECWXBDKNBJCK-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide
CID 120595674
4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide
CID 120590312
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
4-amino-3-methoxy-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)butanamide
CID 120591213
4-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)-3-methoxybutanamide;hydrochloride
CID 120590794
4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide
CID 114227336
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride
CID 120586582
4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide
CID 103154914
N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62837174
4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586484
4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide
CID 120590934
4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride
CID 120588070

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide (CID 103154240) is 4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide is COC(CN)CC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of 4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide?
The InChIKey is NIECWXBDKNBJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8-5-9(13)3-4-11(8)15-12(16)6-10(7-14)17-2/h3-5,10H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide?
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide has a molecular weight of 256.73 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide is sourced from PubChem (CID 103154240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).