4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide

C16H27N3O — CID 63323737

IUPAC4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
SMILESCN(C)CCCCNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-19(2)13-7-6-12-18-16(20)11-10-15(17)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13,17H2,1-2H3,(H,18,20)
InChIKeyNXXMBROARLMRRH-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.92
Rot. Bonds9

About 4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide

4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide (PubChem CID 63323737) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
PubChem CID63323737
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
SMILESCN(C)CCCCNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-19(2)13-7-6-12-18-16(20)11-10-15(17)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13,17H2,1-2H3,(H,18,20)
InChIKeyNXXMBROARLMRRH-UHFFFAOYSA-N
XLogP1.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011430
methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390
4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide
CID 63323905
2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride
CID 119852800
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
CID 119953159
4-amino-4-phenyl-N-prop-2-enylbutanamide
CID 63323887
N-(3-amino-3-phenylpropyl)octanamide
CID 80506646
(2S)-2-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 104984289
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-phenylbutanamide
CID 63324351

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide?
The IUPAC name of 4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide (CID 63323737) is 4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide is CN(C)CCCCNC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide?
The InChIKey is NXXMBROARLMRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-19(2)13-7-6-12-18-16(20)11-10-15(17)14-8-4-3-5-9-14/h3-5,8-9,15H,6-7,10-13,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide?
4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide is sourced from PubChem (CID 63323737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).