N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide

C24H27N3O3 — CID 123410947

IUPACN-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide
SMILESCC1C=CC=CC1CCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C24H27N3O3/c1-18-7-5-6-8-20(18)15-16-27(24(29)25-22-9-3-2-4-10-22)17-19-11-13-21(14-12-19)23(28)26-30/h2-14,18,20,30H,15-17H2,1H3,(H,25,29)(H,26,28)
InChIKeyWERTZTUGENZKIY-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.61
Rot. Bonds7

About N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide

N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide (PubChem CID 123410947) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide
PubChem CID123410947
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide
SMILESCC1C=CC=CC1CCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C24H27N3O3/c1-18-7-5-6-8-20(18)15-16-27(24(29)25-22-9-3-2-4-10-22)17-19-11-13-21(14-12-19)23(28)26-30/h2-14,18,20,30H,15-17H2,1H3,(H,25,29)(H,26,28)
InChIKeyWERTZTUGENZKIY-UHFFFAOYSA-N
XLogP4.61
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.61
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

1-[[4-(hydrazinecarbonyl)phenyl]methyl]-3-phenyl-1-propylurea
CID 134584176
1-benzyl-3-phenyl-1-propylurea
CID 78786424
N-hydroxy-4-[[(2-phenylacetyl)-(2-phenylethyl)amino]methyl]benzamide
CID 147494656
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
CID 23931180
4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide
CID 177250979
N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide
CID 143039987
1-benzyl-3-phenyl-1-prop-2-enylurea
CID 34697540
4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide
CID 143039971
N-[4-[[(4-acetylphenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]-2-aminophenyl]benzamide
CID 140544490
4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide
CID 78821935
1-[(2-hydroxy-3-methylphenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-phenylurea
CID 46229406
4-[[2-hydroxyethyl(propyl)amino]methyl]-N-phenylbenzamide
CID 110881712

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide (CID 123410947) is N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide is CC1C=CC=CC1CCN(Cc1ccc(C(=O)NO)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide?
The InChIKey is WERTZTUGENZKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-18-7-5-6-8-20(18)15-16-27(24(29)25-22-9-3-2-4-10-22)17-19-11-13-21(14-12-19)23(28)26-30/h2-14,18,20,30H,15-17H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide?
N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 4.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide is sourced from PubChem (CID 123410947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).