N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide

C15H24N2O2 — CID 106116184

IUPACN-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide
SMILESCCCC(CCN)CNC(=O)c1cccc(C)c1O
InChIInChI=1S/C15H24N2O2/c1-3-5-12(8-9-16)10-17-15(19)13-7-4-6-11(2)14(13)18/h4,6-7,12,18H,3,5,8-10,16H2,1-2H3,(H,17,19)
InChIKeyQZDGVDNAXLAFCL-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.20
Rot. Bonds7

About N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide

N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide (PubChem CID 106116184) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide
PubChem CID106116184
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide
SMILESCCCC(CCN)CNC(=O)c1cccc(C)c1O
InChIInChI=1S/C15H24N2O2/c1-3-5-12(8-9-16)10-17-15(19)13-7-4-6-11(2)14(13)18/h4,6-7,12,18H,3,5,8-10,16H2,1-2H3,(H,17,19)
InChIKeyQZDGVDNAXLAFCL-UHFFFAOYSA-N
XLogP2.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(2-hydroxypentyl)-3-methylbenzamide
CID 113268457
N-(4-amino-2-ethylbutyl)-3-hydroxy-2-methylbenzamide
CID 82830395
2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide
CID 111697393
N-[2-(2-chloroethyl)pentyl]-3-hydroxy-2-methylbenzamide
CID 106117621
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-4-methoxybenzamide
CID 106116218
N-(2,2-dimethoxyethyl)-2-hydroxy-3-methylbenzamide
CID 60653247
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide
CID 115365600
N-(4-amino-2-methylbutyl)-2,3-dimethylbenzamide
CID 66092297
phenyl N-[2-(2-aminoethyl)pentyl]carbamate
CID 106116281
2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 111697266
N-(4-amino-2-methylbutyl)-2-methylbenzamide
CID 66089966
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide
CID 106357259

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide (CID 106116184) is N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide is CCCC(CCN)CNC(=O)c1cccc(C)c1O.
What is the InChIKey of N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is QZDGVDNAXLAFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-5-12(8-9-16)10-17-15(19)13-7-4-6-11(2)14(13)18/h4,6-7,12,18H,3,5,8-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide?
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 106116184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).