4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide

C19H22N2O2 — CID 73033238

IUPAC4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide
SMILESCC(=Cc1ccc(C(=O)NO)cc1)CN(C)Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-15(13-21(2)14-17-6-4-3-5-7-17)12-16-8-10-18(11-9-16)19(22)20-23/h3-12,23H,13-14H2,1-2H3,(H,20,22)
InChIKeyBHKQSLDYSSNVDV-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.34
Rot. Bonds6

About 4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide

4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide (PubChem CID 73033238) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide
PubChem CID73033238
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide
SMILESCC(=Cc1ccc(C(=O)NO)cc1)CN(C)Cc1ccccc1
InChIInChI=1S/C19H22N2O2/c1-15(13-21(2)14-17-6-4-3-5-7-17)12-16-8-10-18(11-9-16)19(22)20-23/h3-12,23H,13-14H2,1-2H3,(H,20,22)
InChIKeyBHKQSLDYSSNVDV-UHFFFAOYSA-N
XLogP3.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
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

4-[[[2-(dibenzylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003318
N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide
CID 73016288
1-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697732
2-[benzyl(methyl)amino]acetyl chloride
CID 39254606
(1E)-4-[[benzyl(methyl)amino]methyl]-1,2-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 162328423
methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate
CID 8900979
2-[[4-(dibenzylcarbamoyl)phenyl]methyl-methylamino]acetic acid
CID 59826363
ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate
CID 23652081
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
4-[[[2-(benzylamino)-2-oxoethyl]-[4-(dimethylamino)benzoyl]amino]methyl]-N-hydroxybenzamide
CID 134812689
methyl (E)-2-[[benzyl(methyl)amino]methyl]but-2-enoate
CID 10799648
N-benzyl-2-chloro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42657096

Frequently Asked Questions

What is the IUPAC name of 4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide?
The IUPAC name of 4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide (CID 73033238) is 4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide is CC(=Cc1ccc(C(=O)NO)cc1)CN(C)Cc1ccccc1.
What is the InChIKey of 4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide?
The InChIKey is BHKQSLDYSSNVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15(13-21(2)14-17-6-4-3-5-7-17)12-16-8-10-18(11-9-16)19(22)20-23/h3-12,23H,13-14H2,1-2H3,(H,20,22).
What are the key properties of 4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide?
4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide has a molecular weight of 310.40 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[benzyl(methyl)amino]-2-methylprop-1-enyl]-N-hydroxybenzamide is sourced from PubChem (CID 73033238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).