4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide

C16H26ClN3O — CID 66428887

IUPAC4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClN3O/c1-4-8-19-16(21)10-15(11-18)20(3)12(2)13-6-5-7-14(17)9-13/h5-7,9,12,15H,4,8,10-11,18H2,1-3H3,(H,19,21)
InChIKeyNOFMOJXTUWIYNA-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.58
Rot. Bonds8

About 4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide

4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide (PubChem CID 66428887) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide
PubChem CID66428887
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClN3O/c1-4-8-19-16(21)10-15(11-18)20(3)12(2)13-6-5-7-14(17)9-13/h5-7,9,12,15H,4,8,10-11,18H2,1-3H3,(H,19,21)
InChIKeyNOFMOJXTUWIYNA-UHFFFAOYSA-N
XLogP2.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
CID 62979536
4-amino-3-(3-chloroanilino)-N-propylbutanamide
CID 66429319
2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226414
2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63583159
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 62979844
3-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]butanamide
CID 110676592
3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide
CID 55140663
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]-2-oxoacetate
CID 62979257
3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide
CID 119719419
N-butyl-3-(3-chlorophenyl)-3-cyanopropanamide
CID 112511723
2-[1-(3-chlorophenyl)ethyl-methylamino]propanoic acid
CID 62979883
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83039474

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide?
The IUPAC name of 4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide (CID 66428887) is 4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide?
The canonical SMILES for 4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide is CCCNC(=O)CC(CN)N(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of 4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide?
The InChIKey is NOFMOJXTUWIYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-4-8-19-16(21)10-15(11-18)20(3)12(2)13-6-5-7-14(17)9-13/h5-7,9,12,15H,4,8,10-11,18H2,1-3H3,(H,19,21).
What are the key properties of 4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide?
4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide has a molecular weight of 311.86 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide is sourced from PubChem (CID 66428887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).