2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide

C12H17ClN2O — CID 61266625

IUPAC2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)N)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-8(15-11(16)12(2,3)14)9-5-4-6-10(13)7-9/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyWOGIQQNKAVJZNS-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.25
Rot. Bonds3

About 2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide

2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide (PubChem CID 61266625) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
PubChem CID61266625
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide
SMILESCC(NC(=O)C(C)(C)N)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN2O/c1-8(15-11(16)12(2,3)14)9-5-4-6-10(13)7-9/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyWOGIQQNKAVJZNS-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
CID 81371976
N-[1-(3-chlorophenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 62847640
2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81360390
3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119685342
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 113353557
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 81370303
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
CID 81372048
2-amino-2-methyl-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119316349
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
N-[1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 78773548
N-[(1S)-1-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 26908057
1-[1-(3-chlorophenyl)ethyl]-3-(2,2-dimethylpropyl)urea
CID 112839734

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide (CID 61266625) is 2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide is CC(NC(=O)C(C)(C)N)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide?
The InChIKey is WOGIQQNKAVJZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8(15-11(16)12(2,3)14)9-5-4-6-10(13)7-9/h4-8H,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide?
2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide has a molecular weight of 240.73 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 61266625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).