3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide

C17H29N3O — CID 119953159

IUPAC3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
SMILESCCN(CC)CCCCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-3-20(4-2)13-9-8-12-19-17(21)14-16(18)15-10-6-5-7-11-15/h5-7,10-11,16H,3-4,8-9,12-14,18H2,1-2H3,(H,19,21)
InChIKeyZHSOHBGNQFRKCE-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.31
Rot. Bonds10

About 3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide

3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide (PubChem CID 119953159) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
PubChem CID119953159
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide
SMILESCCN(CC)CCCCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C17H29N3O/c1-3-20(4-2)13-9-8-12-19-17(21)14-16(18)15-10-6-5-7-11-15/h5-7,10-11,16H,3-4,8-9,12-14,18H2,1-2H3,(H,19,21)
InChIKeyZHSOHBGNQFRKCE-UHFFFAOYSA-N
XLogP2.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.31
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

3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
CID 119952645
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide
CID 119950039
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide
CID 119951271
3-amino-N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-phenylpropanamide;hydrochloride
CID 119950038
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
3-amino-N-(5,5-dimethylhexyl)-3-phenylpropanamide;hydrochloride
CID 119951270
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
CID 24694165
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
3-amino-N-[3-(methanesulfonamido)propyl]-3-phenylpropanamide
CID 103823697
3-amino-N-[3-(2-methoxyethoxy)propyl]-3-phenylpropanamide
CID 61275597
3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
CID 119953482

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide (CID 119953159) is 3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide is CCN(CC)CCCCNC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide?
The InChIKey is ZHSOHBGNQFRKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-20(4-2)13-9-8-12-19-17(21)14-16(18)15-10-6-5-7-11-15/h5-7,10-11,16H,3-4,8-9,12-14,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide?
3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide has a molecular weight of 291.44 g/mol, XLogP of 2.31, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(diethylamino)butyl]-3-phenylpropanamide is sourced from PubChem (CID 119953159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).