2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide

C14H20N2O2 — CID 114107082

IUPAC2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide
SMILESCCC1(CNC(=O)c2cc(O)ccc2N)CCC1
InChIInChI=1S/C14H20N2O2/c1-2-14(6-3-7-14)9-16-13(18)11-8-10(17)4-5-12(11)15/h4-5,8,17H,2-3,6-7,9,15H2,1H3,(H,16,18)
InChIKeyAHGXMGVVMWTLHJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.28
Rot. Bonds4

About 2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide

2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide (PubChem CID 114107082) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide
PubChem CID114107082
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide
SMILESCCC1(CNC(=O)c2cc(O)ccc2N)CCC1
InChIInChI=1S/C14H20N2O2/c1-2-14(6-3-7-14)9-16-13(18)11-8-10(17)4-5-12(11)15/h4-5,8,17H,2-3,6-7,9,15H2,1H3,(H,16,18)
InChIKeyAHGXMGVVMWTLHJ-UHFFFAOYSA-N
XLogP2.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-hydroxy-N-[[1-(2-methylpropyl)cyclopentyl]methyl]benzamide
CID 107075669
2-amino-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 103822063
2-amino-5-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107075481
3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 114107092
N-[(1-ethylcyclobutyl)methyl]-3,5-dihydroxybenzamide
CID 103893307
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-methoxybenzamide
CID 115357765
2-[1-[[(2-chloro-5-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 106500375
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-chloro-5-hydroxybenzamide
CID 106503177
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107726103
4-bromo-N-[(1-ethylcyclobutyl)methyl]-2-fluorobenzamide
CID 103741352
2-bromo-N-[(1-ethylcyclopentyl)methyl]-5-nitrobenzamide
CID 103766411
2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103967454

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide (CID 114107082) is 2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide is CCC1(CNC(=O)c2cc(O)ccc2N)CCC1.
What is the InChIKey of 2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide?
The InChIKey is AHGXMGVVMWTLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-14(6-3-7-14)9-16-13(18)11-8-10(17)4-5-12(11)15/h4-5,8,17H,2-3,6-7,9,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide?
2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-ethylcyclobutyl)methyl]-5-hydroxybenzamide is sourced from PubChem (CID 114107082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).