4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide

C26H28N4O4 — CID 143039971

IUPAC4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN(CC/C2=C/NC/C=C\C=C/C2)C(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C26H28N4O4/c31-24(22-9-5-3-6-10-22)28-26(33)30(17-15-20-8-4-1-2-7-16-27-18-20)19-21-11-13-23(14-12-21)25(32)29-34/h1-7,9-14,18,27,34H,8,15-17,19H2,(H,29,32)(H,28,31,33)/b4-1-,7-2-,20-18+
InChIKeyOXBIDSUOARAXBW-HVBTWBACSA-N
MW460.53 g/mol
LogP3.54
Rot. Bonds7

About 4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide

4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide (PubChem CID 143039971) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide
PubChem CID143039971
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN(CC/C2=C/NC/C=C\C=C/C2)C(=O)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C26H28N4O4/c31-24(22-9-5-3-6-10-22)28-26(33)30(17-15-20-8-4-1-2-7-16-27-18-20)19-21-11-13-23(14-12-21)25(32)29-34/h1-7,9-14,18,27,34H,8,15-17,19H2,(H,29,32)(H,28,31,33)/b4-1-,7-2-,20-18+
InChIKeyOXBIDSUOARAXBW-HVBTWBACSA-N
XLogP3.54
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-4-[[(2-phenylacetyl)-(2-phenylethyl)amino]methyl]benzamide
CID 147494656
N-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl-(3-phenylpropyl)carbamoyl]benzamide
CID 72980788
4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide
CID 177250979
N-hydroxy-4-[[3-hydroxypropyl(prop-1-en-2-ylcarbamoyl)amino]methyl]benzamide
CID 143039987
N-hydroxy-4-[[2-(6-methylcyclohexa-2,4-dien-1-yl)ethyl-(phenylcarbamoyl)amino]methyl]benzamide
CID 123410947
N-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl-(2-morpholin-4-ylethyl)carbamoyl]benzamide
CID 73096534
[4-(hydroxycarbamoyl)phenyl]methyl-(thiophen-3-ylmethyl)carbamic acid
CID 87545623
4-[[butyl(pentanoyl)amino]methyl]-N-hydroxybenzamide
CID 169452194
N-[hydroxycarbamoyl(methyl)carbamoyl]benzamide
CID 87958715
N-hydroxybenzamide;nickel
CID 88846751
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl-[(3-methoxyphenyl)methyl]carbamoyl]benzamide
CID 59687133
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide
CID 113053040

Frequently Asked Questions

What is the IUPAC name of 4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide (CID 143039971) is 4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN(CC/C2=C/NC/C=C\C=C/C2)C(=O)NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide?
The InChIKey is OXBIDSUOARAXBW-HVBTWBACSA-N. The full InChI is InChI=1S/C26H28N4O4/c31-24(22-9-5-3-6-10-22)28-26(33)30(17-15-20-8-4-1-2-7-16-27-18-20)19-21-11-13-23(14-12-21)25(32)29-34/h1-7,9-14,18,27,34H,8,15-17,19H2,(H,29,32)(H,28,31,33)/b4-1-,7-2-,20-18+.
What are the key properties of 4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide?
4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide has a molecular weight of 460.53 g/mol, XLogP of 3.54, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzoylcarbamoyl-[2-[(3Z,5Z,8E)-2,7-dihydro-1H-azonin-8-yl]ethyl]amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 143039971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).