N-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide

C23H29N3O4 — CID 11452638

IUPACN-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide
SMILESO=C(CCCCCN(CCCc1ccccc1)C(=O)NC(=O)c1ccccc1)NO
InChIInChI=1S/C23H29N3O4/c27-21(25-30)16-8-3-9-17-26(18-10-13-19-11-4-1-5-12-19)23(29)24-22(28)20-14-6-2-7-15-20/h1-2,4-7,11-12,14-15,30H,3,8-10,13,16-18H2,(H,25,27)(H,24,28,29)
InChIKeyLZQLHQNNAVPNSB-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.54
Rot. Bonds11

About N-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide

N-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide (PubChem CID 11452638) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide
PubChem CID11452638
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide
SMILESO=C(CCCCCN(CCCc1ccccc1)C(=O)NC(=O)c1ccccc1)NO
InChIInChI=1S/C23H29N3O4/c27-21(25-30)16-8-3-9-17-26(18-10-13-19-11-4-1-5-12-19)23(29)24-22(28)20-14-6-2-7-15-20/h1-2,4-7,11-12,14-15,30H,3,8-10,13,16-18H2,(H,25,27)(H,24,28,29)
InChIKeyLZQLHQNNAVPNSB-UHFFFAOYSA-N
XLogP3.54
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.54
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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Frequently Asked Questions

What is the IUPAC name of N-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide?
The IUPAC name of N-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide (CID 11452638) is N-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide.
What is the SMILES notation for N-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide?
The canonical SMILES for N-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide is O=C(CCCCCN(CCCc1ccccc1)C(=O)NC(=O)c1ccccc1)NO.
What is the InChIKey of N-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide?
The InChIKey is LZQLHQNNAVPNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c27-21(25-30)16-8-3-9-17-26(18-10-13-19-11-4-1-5-12-19)23(29)24-22(28)20-14-6-2-7-15-20/h1-2,4-7,11-12,14-15,30H,3,8-10,13,16-18H2,(H,25,27)(H,24,28,29).
What are the key properties of N-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide?
N-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide has a molecular weight of 411.50 g/mol, XLogP of 3.54, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(hydroxyamino)-6-oxohexyl]-(3-phenylpropyl)carbamoyl]benzamide is sourced from PubChem (CID 11452638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).