2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide

C13H19ClN2O — CID 61210694

IUPAC2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide
SMILESCCC(NC(C)(C)C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-4-11(16-13(2,3)12(15)17)9-6-5-7-10(14)8-9/h5-8,11,16H,4H2,1-3H3,(H2,15,17)
InChIKeySZQWUZNLXVBNTP-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.64
Rot. Bonds5

About 2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide

2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide (PubChem CID 61210694) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide
PubChem CID61210694
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide
SMILESCCC(NC(C)(C)C(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-4-11(16-13(2,3)12(15)17)9-6-5-7-10(14)8-9/h5-8,11,16H,4H2,1-3H3,(H2,15,17)
InChIKeySZQWUZNLXVBNTP-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

2-amino-N-[1-(3-chlorophenyl)propyl]-2-methylbutanamide
CID 79796813
N-[1-(3-chlorophenyl)propyl]-2-(ethylamino)-2-methylpropanamide
CID 62833393
4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43192997
4-[1-(3-chlorophenyl)propylamino]benzoic acid
CID 43321653
(2R)-2-amino-N-[1-(3-chlorophenyl)propyl]-3-methylbutanamide
CID 79011821
2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
CID 81082683
2-chloro-4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43736518
1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 82720395
3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 104663679
3-amino-4-[1-(3-chlorophenyl)propylamino]-4-oxobutanoic acid
CID 64894322
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide?
The IUPAC name of 2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide (CID 61210694) is 2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide is CCC(NC(C)(C)C(N)=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide?
The InChIKey is SZQWUZNLXVBNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-11(16-13(2,3)12(15)17)9-6-5-7-10(14)8-9/h5-8,11,16H,4H2,1-3H3,(H2,15,17).
What are the key properties of 2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide?
2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide has a molecular weight of 254.76 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide is sourced from PubChem (CID 61210694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).