4-amino-N-butyl-N-(1-phenylpropyl)butanamide

C17H28N2O — CID 119323712

IUPAC4-amino-N-butyl-N-(1-phenylpropyl)butanamide
SMILESCCCCN(C(=O)CCCN)C(CC)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-5-14-19(17(20)12-9-13-18)16(4-2)15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-14,18H2,1-2H3
InChIKeyVMDKQMBFALQJTC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.51
Rot. Bonds9

About 4-amino-N-butyl-N-(1-phenylpropyl)butanamide

4-amino-N-butyl-N-(1-phenylpropyl)butanamide (PubChem CID 119323712) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-amino-N-butyl-N-(1-phenylpropyl)butanamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-(1-phenylpropyl)butanamide
PubChem CID119323712
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-amino-N-butyl-N-(1-phenylpropyl)butanamide
SMILESCCCCN(C(=O)CCCN)C(CC)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-3-5-14-19(17(20)12-9-13-18)16(4-2)15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-14,18H2,1-2H3
InChIKeyVMDKQMBFALQJTC-UHFFFAOYSA-N
XLogP3.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-N-butyl-N-(1-phenylpropyl)acetamide
CID 119783780
(2S)-N-butyl-2-methylsulfonyl-N-[(1R)-1-phenylpropyl]propanamide
CID 95627859
2-amino-N-butan-2-yl-N-butyl-2-phenylacetamide
CID 54870822
3-(2-aminophenyl)-N-butyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 120611121
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide
CID 42696067
N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 42712034
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]pentanamide
CID 42713712
3-[1-phenylpropyl(propyl)amino]propanoic acid
CID 119135012
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide
CID 42713720
4-amino-N-(cyclobutylmethyl)-N-(1-phenylethyl)butanamide
CID 119332711
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-(1-phenylpropyl)butanamide?
The IUPAC name of 4-amino-N-butyl-N-(1-phenylpropyl)butanamide (CID 119323712) is 4-amino-N-butyl-N-(1-phenylpropyl)butanamide.
What is the SMILES notation for 4-amino-N-butyl-N-(1-phenylpropyl)butanamide?
The canonical SMILES for 4-amino-N-butyl-N-(1-phenylpropyl)butanamide is CCCCN(C(=O)CCCN)C(CC)c1ccccc1.
What is the InChIKey of 4-amino-N-butyl-N-(1-phenylpropyl)butanamide?
The InChIKey is VMDKQMBFALQJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-5-14-19(17(20)12-9-13-18)16(4-2)15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-14,18H2,1-2H3.
What are the key properties of 4-amino-N-butyl-N-(1-phenylpropyl)butanamide?
4-amino-N-butyl-N-(1-phenylpropyl)butanamide has a molecular weight of 276.42 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-(1-phenylpropyl)butanamide is sourced from PubChem (CID 119323712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).