2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide

C13H19ClN2O — CID 61265406

IUPAC2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
SMILESCCC(NC(=O)C(C)(C)N)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-4-11(16-12(17)13(2,3)15)9-5-7-10(14)8-6-9/h5-8,11H,4,15H2,1-3H3,(H,16,17)
InChIKeyZPWSOQJFWKSLGB-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.64
Rot. Bonds4

About 2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide

2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide (PubChem CID 61265406) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
PubChem CID61265406
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
SMILESCCC(NC(=O)C(C)(C)N)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O/c1-4-11(16-12(17)13(2,3)15)9-5-7-10(14)8-6-9/h5-8,11H,4,15H2,1-3H3,(H,16,17)
InChIKeyZPWSOQJFWKSLGB-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
CID 64685809
2-amino-N-[1-(4-methoxyphenyl)propyl]-2-methylpropanamide
CID 61266584
N-[1-(4-chlorophenyl)propyl]-2-methylprop-2-enamide
CID 166291370
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
5-[1-(4-chlorophenyl)propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933020
2-amino-N-[1-(4-chlorophenyl)propyl]-2-phenylacetamide
CID 43704192
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 841933
2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
CID 61214980
2-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]-3-methylbutanamide
CID 65225138
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8636252
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8636263

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide (CID 61265406) is 2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide is CCC(NC(=O)C(C)(C)N)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide?
The InChIKey is ZPWSOQJFWKSLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-11(16-12(17)13(2,3)15)9-5-7-10(14)8-6-9/h5-8,11H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide?
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide has a molecular weight of 254.76 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide is sourced from PubChem (CID 61265406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).