2-[5-aminopentyl(methyl)amino]-N-phenylacetamide

C14H23N3O — CID 107207153

IUPAC2-[5-aminopentyl(methyl)amino]-N-phenylacetamide
SMILESCN(CCCCCN)CC(=O)Nc1ccccc1
InChIInChI=1S/C14H23N3O/c1-17(11-7-3-6-10-15)12-14(18)16-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12,15H2,1H3,(H,16,18)
InChIKeyOPSFDKKFEGCVPT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.69
Rot. Bonds8

About 2-[5-aminopentyl(methyl)amino]-N-phenylacetamide

2-[5-aminopentyl(methyl)amino]-N-phenylacetamide (PubChem CID 107207153) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[5-aminopentyl(methyl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-aminopentyl(methyl)amino]-N-phenylacetamide
PubChem CID107207153
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[5-aminopentyl(methyl)amino]-N-phenylacetamide
SMILESCN(CCCCCN)CC(=O)Nc1ccccc1
InChIInChI=1S/C14H23N3O/c1-17(11-7-3-6-10-15)12-14(18)16-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12,15H2,1H3,(H,16,18)
InChIKeyOPSFDKKFEGCVPT-UHFFFAOYSA-N
XLogP1.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.69
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-[methyl(2-methylsulfanylethyl)amino]-N-phenylacetamide
CID 78862578
N-(4-chlorophenyl)-2-[methyl(3-phenoxypropyl)amino]acetamide
CID 9040068
2-[2-aminoethyl(ethyl)amino]-N-phenylacetamide
CID 61348942
2-[4-aminobutyl(methyl)amino]-N-methylacetamide
CID 43374665
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
N-(4-acetylphenyl)-2-[2-aminoethyl(methyl)amino]acetamide
CID 62686648
2-[4-hydroxybutyl(methyl)amino]-N-(4-methylphenyl)acetamide
CID 110931433
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 65482728
N-[3-(aminomethyl)phenyl]-2-[3-(dimethylamino)propyl-methylamino]acetamide
CID 63694626
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142
2-[2-aminoethyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 62688099
2-[3-aminopropyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 81493917

Frequently Asked Questions

What is the IUPAC name of 2-[5-aminopentyl(methyl)amino]-N-phenylacetamide?
The IUPAC name of 2-[5-aminopentyl(methyl)amino]-N-phenylacetamide (CID 107207153) is 2-[5-aminopentyl(methyl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[5-aminopentyl(methyl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[5-aminopentyl(methyl)amino]-N-phenylacetamide is CN(CCCCCN)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[5-aminopentyl(methyl)amino]-N-phenylacetamide?
The InChIKey is OPSFDKKFEGCVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17(11-7-3-6-10-15)12-14(18)16-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12,15H2,1H3,(H,16,18).
What are the key properties of 2-[5-aminopentyl(methyl)amino]-N-phenylacetamide?
2-[5-aminopentyl(methyl)amino]-N-phenylacetamide has a molecular weight of 249.36 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-aminopentyl(methyl)amino]-N-phenylacetamide is sourced from PubChem (CID 107207153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).