N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide

C16H26N2O2 — CID 106116064

IUPACN-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide
SMILESCCCC(CCN)CNC(=O)Cc1cccc(OC)c1
InChIInChI=1S/C16H26N2O2/c1-3-5-13(8-9-17)12-18-16(19)11-14-6-4-7-15(10-14)20-2/h4,6-7,10,13H,3,5,8-9,11-12,17H2,1-2H3,(H,18,19)
InChIKeyKGAGZSJZRVHICX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.12
Rot. Bonds9

About N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide

N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide (PubChem CID 106116064) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide
PubChem CID106116064
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide
SMILESCCCC(CCN)CNC(=O)Cc1cccc(OC)c1
InChIInChI=1S/C16H26N2O2/c1-3-5-13(8-9-17)12-18-16(19)11-14-6-4-7-15(10-14)20-2/h4,6-7,10,13H,3,5,8-9,11-12,17H2,1-2H3,(H,18,19)
InChIKeyKGAGZSJZRVHICX-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 103722794
N-(4-amino-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
CID 66090213
N-(4-chloro-2-methylbutyl)-2-(3-methoxyphenyl)acetamide
CID 113273646
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-(3-methoxyphenyl)acetamide
CID 62666127
phenyl N-[2-(2-aminoethyl)pentyl]carbamate
CID 106116281
N-(2-hydroxy-3-phenylpropyl)-2-(3-methoxyphenyl)acetamide
CID 90534339
N-(4-amino-2,2-dimethylbutyl)-2-(3-methoxyphenyl)acetamide
CID 106140187
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119664823
N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide
CID 114145851
methyl N-[2-(2-aminoethyl)pentyl]carbamate
CID 106116272
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834
N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
CID 106118115

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide (CID 106116064) is N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide is CCCC(CCN)CNC(=O)Cc1cccc(OC)c1.
What is the InChIKey of N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is KGAGZSJZRVHICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-5-13(8-9-17)12-18-16(19)11-14-6-4-7-15(10-14)20-2/h4,6-7,10,13H,3,5,8-9,11-12,17H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide?
N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 106116064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).