2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide

C16H27N3O — CID 24696027

IUPAC2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide
SMILESCCN(CC)CCCNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H27N3O/c1-3-19(4-2)12-8-11-18-16(20)15(17)13-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13,17H2,1-2H3,(H,18,20)
InChIKeyVWWXIKCPAYTABV-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.40
Rot. Bonds9

About 2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide

2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide (PubChem CID 24696027) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide
PubChem CID24696027
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide
SMILESCCN(CC)CCCNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H27N3O/c1-3-19(4-2)12-8-11-18-16(20)15(17)13-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13,17H2,1-2H3,(H,18,20)
InChIKeyVWWXIKCPAYTABV-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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

2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide
CID 106047732
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
2-amino-N-[2-(diethylamino)ethyl]-4-phenylbutanamide
CID 114924642
(2R)-2-amino-N-(3-methylsulfinylpropyl)-3-phenylpropanamide
CID 103796473
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-(5-methylhexyl)-3-phenylpropanamide
CID 81433070
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
CID 79025244
4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119827831
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide (CID 24696027) is 2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide is CCN(CC)CCCNC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide?
The InChIKey is VWWXIKCPAYTABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-19(4-2)12-8-11-18-16(20)15(17)13-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide?
2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 1.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide is sourced from PubChem (CID 24696027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).