2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide

C15H25N3O — CID 81493917

IUPAC2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
SMILESCN(CCCN)CC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H25N3O/c1-18(12-6-10-16)13-15(19)17-11-5-9-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13,16H2,1H3,(H,17,19)
InChIKeyFCKVSPCRRUSYHS-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.02
Rot. Bonds9

About 2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide

2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide (PubChem CID 81493917) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
PubChem CID81493917
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
SMILESCN(CCCN)CC(=O)NCCCc1ccccc1
InChIInChI=1S/C15H25N3O/c1-18(12-6-10-16)13-15(19)17-11-5-9-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13,16H2,1H3,(H,17,19)
InChIKeyFCKVSPCRRUSYHS-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.02
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-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
2-[5-hydroxypentyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 107204085
2-[3-hydroxybutyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 115665779
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(3-phenylpropyl)acetamide
CID 8729406
2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 8730291
4-(2-aminoethyl)-N-[3-[benzyl(methyl)amino]propyl]benzamide
CID 113236698
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
CID 109398438
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-phenylpropyl)acetamide
CID 40717867
N-[2-(4-chlorophenyl)ethyl]-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 55648751

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide (CID 81493917) is 2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide is CN(CCCN)CC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
The InChIKey is FCKVSPCRRUSYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-18(12-6-10-16)13-15(19)17-11-5-9-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13,16H2,1H3,(H,17,19).
What are the key properties of 2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide?
2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 81493917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).