N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide

C15H24N2O2 — CID 107206604

IUPACN-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
SMILESCN(CCCCCN)C(=O)CCOc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-17(12-7-3-6-11-16)15(18)10-13-19-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13,16H2,1H3
InChIKeyLSJMLSIZXFGNGN-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.04
Rot. Bonds9

About N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide

N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide (PubChem CID 107206604) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
PubChem CID107206604
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(5-aminopentyl)-N-methyl-3-phenoxypropanamide
SMILESCN(CCCCCN)C(=O)CCOc1ccccc1
InChIInChI=1S/C15H24N2O2/c1-17(12-7-3-6-11-16)15(18)10-13-19-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13,16H2,1H3
InChIKeyLSJMLSIZXFGNGN-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
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-methyl-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 119294025
N-(3-aminopropyl)-3-(4-ethylphenoxy)-N-methylpropanamide
CID 43254052
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962
N-(3-aminopropyl)-3-(3,5-difluorophenoxy)-N-methylpropanamide
CID 62785960
N-(3-aminopropyl)-3-(2-ethylphenoxy)-N-methylpropanamide
CID 43254471
N-(3-aminopropyl)-3-[benzyl(methyl)amino]-N-methylpropanamide
CID 43253618
N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
CID 60508904
3-(2-aminophenyl)-N-methyl-N-(3-phenoxypropyl)propanamide
CID 120609279
N-(5-aminopentyl)-3-ethoxy-N-methylpropanamide
CID 107206617
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
CID 79199692
2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide
CID 60944728
N-(3-aminopropyl)-N-methyl-3-[(6-methyl-3-pyridinyl)oxy]propanamide
CID 55030985

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide?
The IUPAC name of N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide (CID 107206604) is N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide.
What is the SMILES notation for N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide?
The canonical SMILES for N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide is CN(CCCCCN)C(=O)CCOc1ccccc1.
What is the InChIKey of N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide?
The InChIKey is LSJMLSIZXFGNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17(12-7-3-6-11-16)15(18)10-13-19-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13,16H2,1H3.
What are the key properties of N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide?
N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide has a molecular weight of 264.37 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N-methyl-3-phenoxypropanamide is sourced from PubChem (CID 107206604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).