8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide

C24H26N2O6 — CID 139926820

IUPAC8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)NO)oc23)cc1
InChIInChI=1S/C24H26N2O6/c1-2-3-4-5-6-14-31-17-12-10-16(11-13-17)23(28)25-19-9-7-8-18-20(27)15-21(24(29)26-30)32-22(18)19/h7-13,15,30H,2-6,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyUDTYTRSGYZXBEY-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.51
Rot. Bonds10

About 8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide

8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide (PubChem CID 139926820) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide
PubChem CID139926820
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)NO)oc23)cc1
InChIInChI=1S/C24H26N2O6/c1-2-3-4-5-6-14-31-17-12-10-16(11-13-17)23(28)25-19-9-7-8-18-20(27)15-21(24(29)26-30)32-22(18)19/h7-13,15,30H,2-6,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyUDTYTRSGYZXBEY-UHFFFAOYSA-N
XLogP4.51
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

Analyze 8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide 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-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide
CID 139926830
methyl 8-[(4-hexoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926774
pentyl 8-[(4-octoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926778
butyl 8-[(4-heptoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926806
ethyl 8-[(4-hexoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926727
tert-butyl 8-[(4-heptoxybenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926792
methyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 10116174
butyl 8-[(4-heptylbenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926756
tert-butyl 4-oxo-8-[[4-(4-phenylbutoxy)benzoyl]amino]chromene-2-carboxylate
CID 139926708
4-heptoxy-N-naphthalen-1-ylbenzamide
CID 4950571
2-methylpropyl 8-[(4-hexylbenzoyl)amino]-4-oxochromene-2-carboxylate
CID 139926808
N-(4-oxochromen-8-yl)-4-propoxybenzamide
CID 22371146

Frequently Asked Questions

What is the IUPAC name of 8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide?
The IUPAC name of 8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide (CID 139926820) is 8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide.
What is the SMILES notation for 8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide?
The canonical SMILES for 8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide is CCCCCCCOc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)NO)oc23)cc1.
What is the InChIKey of 8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide?
The InChIKey is UDTYTRSGYZXBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-2-3-4-5-6-14-31-17-12-10-16(11-13-17)23(28)25-19-9-7-8-18-20(27)15-21(24(29)26-30)32-22(18)19/h7-13,15,30H,2-6,14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide?
8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 4.51, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 139926820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).