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

C26H30N2O6 — CID 139926830

IUPACN-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide
SMILESCCCCCCCCCOc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)NO)oc23)cc1
InChIInChI=1S/C26H30N2O6/c1-2-3-4-5-6-7-8-16-33-19-14-12-18(13-15-19)25(30)27-21-11-9-10-20-22(29)17-23(26(31)28-32)34-24(20)21/h9-15,17,32H,2-8,16H2,1H3,(H,27,30)(H,28,31)
InChIKeyOCAIDDPOONTNMU-UHFFFAOYSA-N
MW466.53 g/mol
LogP5.29
Rot. Bonds12

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

N-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide (PubChem CID 139926830) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is N-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide
PubChem CID139926830
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC NameN-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide
SMILESCCCCCCCCCOc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)NO)oc23)cc1
InChIInChI=1S/C26H30N2O6/c1-2-3-4-5-6-7-8-16-33-19-14-12-18(13-15-19)25(30)27-21-11-9-10-20-22(29)17-23(26(31)28-32)34-24(20)21/h9-15,17,32H,2-8,16H2,1H3,(H,27,30)(H,28,31)
InChIKeyOCAIDDPOONTNMU-UHFFFAOYSA-N
XLogP5.29
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.53
LogP ≤ 55.29
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'}

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Related Compounds

8-[(4-heptoxybenzoyl)amino]-N-hydroxy-4-oxochromene-2-carboxamide
CID 139926820
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 N-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide?
The IUPAC name of N-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide (CID 139926830) is N-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide is CCCCCCCCCOc1ccc(C(=O)Nc2cccc3c(=O)cc(C(=O)NO)oc23)cc1.
What is the InChIKey of N-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide?
The InChIKey is OCAIDDPOONTNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-2-3-4-5-6-7-8-16-33-19-14-12-18(13-15-19)25(30)27-21-11-9-10-20-22(29)17-23(26(31)28-32)34-24(20)21/h9-15,17,32H,2-8,16H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide?
N-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide has a molecular weight of 466.53 g/mol, XLogP of 5.29, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-[(4-nonoxybenzoyl)amino]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 139926830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).