N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide

C16H27N3O — CID 109016887

IUPACN-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide
SMILESCN(C)CCCNC(=O)CCNCCc1ccccc1
InChIInChI=1S/C16H27N3O/c1-19(2)14-6-11-18-16(20)10-13-17-12-9-15-7-4-3-5-8-15/h3-5,7-8,17H,6,9-14H2,1-2H3,(H,18,20)
InChIKeyGZAQHLGAGJOAGD-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.28
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide

N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide (PubChem CID 109016887) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide
PubChem CID109016887
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide
SMILESCN(C)CCCNC(=O)CCNCCc1ccccc1
InChIInChI=1S/C16H27N3O/c1-19(2)14-6-11-18-16(20)10-13-17-12-9-15-7-4-3-5-8-15/h3-5,7-8,17H,6,9-14H2,1-2H3,(H,18,20)
InChIKeyGZAQHLGAGJOAGD-UHFFFAOYSA-N
XLogP1.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.28
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

ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
N-butyl-3-(3-phenylpropylamino)propanamide
CID 109012240
3-(pentylamino)-N-(2-phenylethyl)propanamide
CID 109024121
3-[3-(dimethylamino)propylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109017050
N-[2-(4-fluorophenyl)ethyl]-3-(2-phenylethylamino)propanamide
CID 109024236
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
3-(2-methoxyethylamino)-N-(3-phenylpropyl)propanamide
CID 109015207
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793
N-[3-(dimethylamino)propyl]-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 108995212

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide (CID 109016887) is N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide is CN(C)CCCNC(=O)CCNCCc1ccccc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide?
The InChIKey is GZAQHLGAGJOAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-19(2)14-6-11-18-16(20)10-13-17-12-9-15-7-4-3-5-8-15/h3-5,7-8,17H,6,9-14H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide?
N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide has a molecular weight of 277.41 g/mol, XLogP of 1.28, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide is sourced from PubChem (CID 109016887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).