N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide

C14H18N2O4 — CID 107399084

IUPACN-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide
SMILESCCN(CC1CCC1)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C14H18N2O4/c1-2-15(9-10-5-3-6-10)14(18)11-7-4-8-12(13(11)17)16(19)20/h4,7-8,10,17H,2-3,5-6,9H2,1H3
InChIKeyYLCCJRCSQVYZPQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.56
Rot. Bonds5

About N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide

N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide (PubChem CID 107399084) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide
PubChem CID107399084
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide
SMILESCCN(CC1CCC1)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C14H18N2O4/c1-2-15(9-10-5-3-6-10)14(18)11-7-4-8-12(13(11)17)16(19)20/h4,7-8,10,17H,2-3,5-6,9H2,1H3
InChIKeyYLCCJRCSQVYZPQ-UHFFFAOYSA-N
XLogP2.56
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
CID 107398303
N-ethyl-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]-3-nitrobenzamide
CID 103799970
2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528
2-amino-N-(cyclobutylmethyl)-N-methyl-3-nitrobenzamide
CID 112696757
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 3350667
5-amino-N-(cyclopropylmethyl)-N-ethyl-2-nitrobenzamide
CID 63939918
N-(cyclopropylmethyl)-N-ethyl-5-fluoro-2-nitrobenzamide
CID 63954339
2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide
CID 103800385
N-(cyclopropylmethyl)-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82829503
N-(cyclobutylmethyl)-N-ethyl-2-(methylamino)-5-nitrobenzamide
CID 107401291
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-nitrophenyl)methanone
CID 103746374
N-(cyclopropylmethyl)-N-ethyl-5-(methylamino)-2-nitrobenzamide
CID 63939145

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide (CID 107399084) is N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide is CCN(CC1CCC1)C(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide?
The InChIKey is YLCCJRCSQVYZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-15(9-10-5-3-6-10)14(18)11-7-4-8-12(13(11)17)16(19)20/h4,7-8,10,17H,2-3,5-6,9H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide?
N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide has a molecular weight of 278.31 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 107399084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).