4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide

C24H29N3O4 — CID 164613299

IUPAC4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide
SMILESO=C(CN(Cc1ccc(C(=O)NO)cc1)C(=O)Cc1ccccc1)NC1CCCCC1
InChIInChI=1S/C24H29N3O4/c28-22(25-21-9-5-2-6-10-21)17-27(23(29)15-18-7-3-1-4-8-18)16-19-11-13-20(14-12-19)24(30)26-31/h1,3-4,7-8,11-14,21,31H,2,5-6,9-10,15-17H2,(H,25,28)(H,26,30)
InChIKeyIUWIVEROLJCNHO-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.83
Rot. Bonds8

About 4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide

4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide (PubChem CID 164613299) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide
PubChem CID164613299
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide
SMILESO=C(CN(Cc1ccc(C(=O)NO)cc1)C(=O)Cc1ccccc1)NC1CCCCC1
InChIInChI=1S/C24H29N3O4/c28-22(25-21-9-5-2-6-10-21)17-27(23(29)15-18-7-3-1-4-8-18)16-19-11-13-20(14-12-19)24(30)26-31/h1,3-4,7-8,11-14,21,31H,2,5-6,9-10,15-17H2,(H,25,28)(H,26,30)
InChIKeyIUWIVEROLJCNHO-UHFFFAOYSA-N
XLogP2.83
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-(cyclopentylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-indole-3-carboxamide
CID 177380043
N-hydroxy-4-[[(2-phenylacetyl)-(2-phenylethyl)amino]methyl]benzamide
CID 147494656
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-[3-[benzyl-[2-(cyclopentylamino)-2-oxoethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 3221380
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 109044420
2-[benzyl(cyclohexyl)amino]-N-cyclopropylacetamide
CID 60522706
4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide
CID 177250979
N',N'-dibenzyl-N-cyclopentyloxamide
CID 108505966
N-cyclopropyl-2-phenylacetamide
CID 5175687
4-[2-(N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylanilino)-2-oxoethyl]-3-fluoro-N-hydroxybenzamide
CID 171713876

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide (CID 164613299) is 4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide is O=C(CN(Cc1ccc(C(=O)NO)cc1)C(=O)Cc1ccccc1)NC1CCCCC1.
What is the InChIKey of 4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide?
The InChIKey is IUWIVEROLJCNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c28-22(25-21-9-5-2-6-10-21)17-27(23(29)15-18-7-3-1-4-8-18)16-19-11-13-20(14-12-19)24(30)26-31/h1,3-4,7-8,11-14,21,31H,2,5-6,9-10,15-17H2,(H,25,28)(H,26,30).
What are the key properties of 4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide?
4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide has a molecular weight of 423.51 g/mol, XLogP of 2.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(cyclohexylamino)-2-oxoethyl]-(2-phenylacetyl)amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 164613299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).