N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide

C13H19ClN2O — CID 79202005

IUPACN-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-10(9-15-2)13(17)16-7-6-11-4-3-5-12(14)8-11/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyBQVPJKFGKSNYCM-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.85
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide

N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 79202005) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
PubChem CID79202005
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-10(9-15-2)13(17)16-7-6-11-4-3-5-12(14)8-11/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,17)
InChIKeyBQVPJKFGKSNYCM-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl N-[2-(3-chlorophenyl)ethyl]carbamate
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(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
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N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
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2-(3-chlorophenyl)ethylurea
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2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
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CID 94784903

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide (CID 79202005) is N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is BQVPJKFGKSNYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10(9-15-2)13(17)16-7-6-11-4-3-5-12(14)8-11/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 254.76 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79202005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).