N-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide

C21H25N3O4 — CID 11176541

IUPACN-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide
SMILESO=C(CCCCCN(Cc1ccccc1)C(=O)NC(=O)c1ccccc1)NO
InChIInChI=1S/C21H25N3O4/c25-19(23-28)14-8-3-9-15-24(16-17-10-4-1-5-11-17)21(27)22-20(26)18-12-6-2-7-13-18/h1-2,4-7,10-13,28H,3,8-9,14-16H2,(H,23,25)(H,22,26,27)
InChIKeyBWWHWAGGQJPERW-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.10
Rot. Bonds9

About N-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide

N-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide (PubChem CID 11176541) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide
PubChem CID11176541
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide
SMILESO=C(CCCCCN(Cc1ccccc1)C(=O)NC(=O)c1ccccc1)NO
InChIInChI=1S/C21H25N3O4/c25-19(23-28)14-8-3-9-15-24(16-17-10-4-1-5-11-17)21(27)22-20(26)18-12-6-2-7-13-18/h1-2,4-7,10-13,28H,3,8-9,14-16H2,(H,23,25)(H,22,26,27)
InChIKeyBWWHWAGGQJPERW-UHFFFAOYSA-N
XLogP3.10
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 255782
N,N'-1,2-Ethanediylbisbenzamide
CID 69518
ChiRYun
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CID 219241
N-(6-Hydroxycarbamoyl-hexyl)-benzamide
CID 9965141
8-(3-Benzoyl-ureido)-octanoic acid hydroxyamide
CID 11381650
7-(3-Benzoyl-ureido)-heptanoic acid hydroxyamide
CID 11426781
Benzamide, N-(((6-(hydroxyamino)-6-oxohexyl)amino)carbonyl)-
CID 11449246
N-(2-(1-benzylpiperidin-4-yl)ethyl)benzamide
CID 14783860
3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 71680913
N-hydroxy-4-{[(2-hydroxyethyl)(phenylacetyl)amino]methyl}benzamide
CID 91810840
N-(3-phenylpropyl)benzamide
CID 2268454

Frequently Asked Questions

What is the IUPAC name of N-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide?
The IUPAC name of N-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide (CID 11176541) is N-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide.
What is the SMILES notation for N-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide?
The canonical SMILES for N-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide is O=C(CCCCCN(Cc1ccccc1)C(=O)NC(=O)c1ccccc1)NO.
What is the InChIKey of N-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide?
The InChIKey is BWWHWAGGQJPERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c25-19(23-28)14-8-3-9-15-24(16-17-10-4-1-5-11-17)21(27)22-20(26)18-12-6-2-7-13-18/h1-2,4-7,10-13,28H,3,8-9,14-16H2,(H,23,25)(H,22,26,27).
What are the key properties of N-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide?
N-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 3.10, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl-[6-(hydroxyamino)-6-oxohexyl]carbamoyl]benzamide is sourced from PubChem (CID 11176541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).