2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide

C16H18N2O2 — CID 141041518

IUPAC2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide
SMILESCc1cc(C)c(NCc2ccccc2)c(C(=O)NO)c1
InChIInChI=1S/C16H18N2O2/c1-11-8-12(2)15(14(9-11)16(19)18-20)17-10-13-6-4-3-5-7-13/h3-9,17,20H,10H2,1-2H3,(H,18,19)
InChIKeyVXCKZXGSDADABD-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.03
Rot. Bonds4

About 2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide

2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide (PubChem CID 141041518) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide.

Molecular Properties

Compound Name2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide
PubChem CID141041518
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide
SMILESCc1cc(C)c(NCc2ccccc2)c(C(=O)NO)c1
InChIInChI=1S/C16H18N2O2/c1-11-8-12(2)15(14(9-11)16(19)18-20)17-10-13-6-4-3-5-7-13/h3-9,17,20H,10H2,1-2H3,(H,18,19)
InChIKeyVXCKZXGSDADABD-UHFFFAOYSA-N
XLogP3.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2,2-dimethyl-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108961574
1-benzyl-3-(2-bromo-4,6-dimethylphenyl)urea
CID 103816632
3-[(2,4,6-trimethylanilino)methyl]benzamide
CID 63276989
N-benzyl-2,6-dimethoxy-4-methylaniline
CID 140970852
N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54842929
2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
CID 2249172
2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid
CID 63112144
N-[2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 23573608
2-(benzylamino)-2-(2,4,6-trimethylphenyl)acetic acid
CID 60992145
2-[(4-ethylphenyl)methylamino]-3-methylbenzoic acid
CID 107112483
(2S)-2-methyl-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 793462
(Z)-N-benzyl-2-cyano-3-(2,4,6-trimethylanilino)prop-2-enamide
CID 108842178

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide?
The IUPAC name of 2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide (CID 141041518) is 2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide.
What is the SMILES notation for 2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide?
The canonical SMILES for 2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide is Cc1cc(C)c(NCc2ccccc2)c(C(=O)NO)c1.
What is the InChIKey of 2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide?
The InChIKey is VXCKZXGSDADABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-8-12(2)15(14(9-11)16(19)18-20)17-10-13-6-4-3-5-7-13/h3-9,17,20H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide?
2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide has a molecular weight of 270.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-hydroxy-3,5-dimethylbenzamide is sourced from PubChem (CID 141041518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).