4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide

C13H20ClN3O — CID 66427548

IUPAC4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide
SMILESCC(c1ccccc1Cl)N(C)C(CN)CC(N)=O
InChIInChI=1S/C13H20ClN3O/c1-9(11-5-3-4-6-12(11)14)17(2)10(8-15)7-13(16)18/h3-6,9-10H,7-8,15H2,1-2H3,(H2,16,18)
InChIKeyYRTCXUINGVVOPO-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.54
Rot. Bonds6

About 4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide

4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide (PubChem CID 66427548) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide.

Molecular Properties

Compound Name4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide
PubChem CID66427548
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide
SMILESCC(c1ccccc1Cl)N(C)C(CN)CC(N)=O
InChIInChI=1S/C13H20ClN3O/c1-9(11-5-3-4-6-12(11)14)17(2)10(8-15)7-13(16)18/h3-6,9-10H,7-8,15H2,1-2H3,(H2,16,18)
InChIKeyYRTCXUINGVVOPO-UHFFFAOYSA-N
XLogP1.54
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide
CID 66431255
3-[1-(2-chlorophenyl)ethyl-methylamino]butanethioamide
CID 62980396
(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
CID 71755470
3-(2-chlorophenyl)pentanediamide
CID 13034531
methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate
CID 62978673
4-amino-3-[butan-2-yl(methyl)amino]butanamide
CID 66426678
3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide
CID 94477615
ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate
CID 82770188
2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone
CID 62980408
N-[1-(2-chlorophenyl)ethyl]-1-(furan-3-yl)-N-methylethane-1,2-diamine
CID 55163011
4-amino-4-(2-chlorophenyl)butan-2-one
CID 134204644
3-methyl-4-(2-methylphenyl)pentanamide
CID 175805571

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide?
The IUPAC name of 4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide (CID 66427548) is 4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide.
What is the SMILES notation for 4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide?
The canonical SMILES for 4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide is CC(c1ccccc1Cl)N(C)C(CN)CC(N)=O.
What is the InChIKey of 4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide?
The InChIKey is YRTCXUINGVVOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9(11-5-3-4-6-12(11)14)17(2)10(8-15)7-13(16)18/h3-6,9-10H,7-8,15H2,1-2H3,(H2,16,18).
What are the key properties of 4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide?
4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide has a molecular weight of 269.78 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide is sourced from PubChem (CID 66427548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).