N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide

C18H22N2O5 — CID 53393956

IUPACN'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCCCCCC(=O)NO)ccc12
InChIInChI=1S/C18H22N2O5/c1-12-10-18(23)25-15-11-13(8-9-14(12)15)19-16(21)6-4-2-3-5-7-17(22)20-24/h8-11,24H,2-7H2,1H3,(H,19,21)(H,20,22)
InChIKeyYSRCADVJNRJJAV-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.89
Rot. Bonds8

About N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide

N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide (PubChem CID 53393956) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
PubChem CID53393956
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCCCCCC(=O)NO)ccc12
InChIInChI=1S/C18H22N2O5/c1-12-10-18(23)25-15-11-13(8-9-14(12)15)19-16(21)6-4-2-3-5-7-17(22)20-24/h8-11,24H,2-7H2,1H3,(H,19,21)(H,20,22)
InChIKeyYSRCADVJNRJJAV-UHFFFAOYSA-N
XLogP2.89
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', '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

6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 10758804
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
CID 26878521
N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 167848019
N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide
CID 86581290
6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 134131601
4-(diaminomethylideneamino)-N-(4-methyl-2-oxochromen-7-yl)butanamide;2,2,2-trifluoroacetic acid
CID 134137031
2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide
CID 134132292
N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 172659008
N-[2-oxo-4-(trifluoromethyl)chromen-7-yl]octanamide
CID 89057127
N-(4-methyl-2-oxochromen-7-yl)-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 4639687
azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid
CID 170653162

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide?
The IUPAC name of N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide (CID 53393956) is N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide.
What is the SMILES notation for N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide?
The canonical SMILES for N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide is Cc1cc(=O)oc2cc(NC(=O)CCCCCCC(=O)NO)ccc12.
What is the InChIKey of N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide?
The InChIKey is YSRCADVJNRJJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-12-10-18(23)25-15-11-13(8-9-14(12)15)19-16(21)6-4-2-3-5-7-17(22)20-24/h8-11,24H,2-7H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide?
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide has a molecular weight of 346.38 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide is sourced from PubChem (CID 53393956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).