3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide

C14H20N2O2 — CID 113386417

IUPAC3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide
SMILESCCCCN(C(=O)c1cccc(N)c1O)C1CC1
InChIInChI=1S/C14H20N2O2/c1-2-3-9-16(10-7-8-10)14(18)11-5-4-6-12(15)13(11)17/h4-6,10,17H,2-3,7-9,15H2,1H3
InChIKeyYIUKHIKGVQPLIB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.38
Rot. Bonds5

About 3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide

3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide (PubChem CID 113386417) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide.

Molecular Properties

Compound Name3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide
PubChem CID113386417
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide
SMILESCCCCN(C(=O)c1cccc(N)c1O)C1CC1
InChIInChI=1S/C14H20N2O2/c1-2-3-9-16(10-7-8-10)14(18)11-5-4-6-12(15)13(11)17/h4-6,10,17H,2-3,7-9,15H2,1H3
InChIKeyYIUKHIKGVQPLIB-UHFFFAOYSA-N
XLogP2.38
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide
CID 113386511
N-cyclopropyl-2,3-dihydroxy-N-propylbenzamide
CID 114343927
N-butyl-N-cyclopropyl-2,3-difluorobenzamide
CID 55210520
6-amino-N-butyl-N-cyclopropyl-1,3-benzodioxole-5-carboxamide
CID 103542917
2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide
CID 60944357
N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
CID 103887557
2-amino-N-cyclopropyl-3-methyl-N-propylbenzamide
CID 43269918
N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
CID 103891986
N-butyl-N-cyclopropyl-2-(propylamino)benzamide
CID 62179116
N-butyl-N-cyclopropyl-6-hydrazinylpyridine-2-carboxamide
CID 62237201
3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
CID 58736495
3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 113386399

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide?
The IUPAC name of 3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide (CID 113386417) is 3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide.
What is the SMILES notation for 3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide?
The canonical SMILES for 3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide is CCCCN(C(=O)c1cccc(N)c1O)C1CC1.
What is the InChIKey of 3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide?
The InChIKey is YIUKHIKGVQPLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-9-16(10-7-8-10)14(18)11-5-4-6-12(15)13(11)17/h4-6,10,17H,2-3,7-9,15H2,1H3.
What are the key properties of 3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide?
3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide is sourced from PubChem (CID 113386417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).