N-(butylcarbamoyl)-2-hydroxybenzamide

C12H16N2O3 — CID 142955512

IUPACN-(butylcarbamoyl)-2-hydroxybenzamide
SMILESCCCCNC(=O)NC(=O)c1ccccc1O
InChIInChI=1S/C12H16N2O3/c1-2-3-8-13-12(17)14-11(16)9-6-4-5-7-10(9)15/h4-7,15H,2-3,8H2,1H3,(H2,13,14,16,17)
InChIKeyNXJDYNQTDSBZTR-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.63
Rot. Bonds4

About N-(butylcarbamoyl)-2-hydroxybenzamide

N-(butylcarbamoyl)-2-hydroxybenzamide (PubChem CID 142955512) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-hydroxybenzamide
PubChem CID142955512
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(butylcarbamoyl)-2-hydroxybenzamide
SMILESCCCCNC(=O)NC(=O)c1ccccc1O
InChIInChI=1S/C12H16N2O3/c1-2-3-8-13-12(17)14-11(16)9-6-4-5-7-10(9)15/h4-7,15H,2-3,8H2,1H3,(H2,13,14,16,17)
InChIKeyNXJDYNQTDSBZTR-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide
CID 139129379
2-hydroxy-N-[2-(2-hydroxyethyldisulfanyl)ethylcarbamoyl]benzamide
CID 88987524
1-butyl-3-[(2-hydroxyphenyl)methyl]urea
CID 115598931
dodecyl-[3-[(2-hydroxybenzoyl)amino]propyl]-methylsulfanium bromide
CID 71441333
butyl 4-[(2-hydroxybenzoyl)amino]butanoate
CID 141205227
2-hydroxy-N-(4-sulfanylhexadecyl)benzamide
CID 88819148
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
ethyl N-(2-hydroxybenzoyl)carbamate
CID 175348381
1-butyl-3-trimethylsilylurea
CID 13070988
N-[2-(butylcarbamoyl)phenyl]-2,3-dihydroxybenzamide
CID 139926551
N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide
CID 108571675
N-butyl-2-methylsulfanylbenzamide
CID 59510338

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-hydroxybenzamide?
The IUPAC name of N-(butylcarbamoyl)-2-hydroxybenzamide (CID 142955512) is N-(butylcarbamoyl)-2-hydroxybenzamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-hydroxybenzamide?
The canonical SMILES for N-(butylcarbamoyl)-2-hydroxybenzamide is CCCCNC(=O)NC(=O)c1ccccc1O.
What is the InChIKey of N-(butylcarbamoyl)-2-hydroxybenzamide?
The InChIKey is NXJDYNQTDSBZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-3-8-13-12(17)14-11(16)9-6-4-5-7-10(9)15/h4-7,15H,2-3,8H2,1H3,(H2,13,14,16,17).
What are the key properties of N-(butylcarbamoyl)-2-hydroxybenzamide?
N-(butylcarbamoyl)-2-hydroxybenzamide has a molecular weight of 236.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-hydroxybenzamide is sourced from PubChem (CID 142955512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).