8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide

C18H20N2O6 — CID 1244415

IUPAC8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])cc2cc(C(=O)N[C@H]3CCCC[C@H]3C)c(=O)oc12
InChIInChI=1S/C18H20N2O6/c1-10-5-3-4-6-14(10)19-17(21)13-8-11-7-12(20(23)24)9-15(25-2)16(11)26-18(13)22/h7-10,14H,3-6H2,1-2H3,(H,19,21)/t10-,14+/m1/s1
InChIKeyRBSPWTMPPNTTTJ-YGRLFVJLSA-N
MW360.37 g/mol
LogP3.02
Rot. Bonds4

About 8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide

8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide (PubChem CID 1244415) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is 8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide
PubChem CID1244415
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])cc2cc(C(=O)N[C@H]3CCCC[C@H]3C)c(=O)oc12
InChIInChI=1S/C18H20N2O6/c1-10-5-3-4-6-14(10)19-17(21)13-8-11-7-12(20(23)24)9-15(25-2)16(11)26-18(13)22/h7-10,14H,3-6H2,1-2H3,(H,19,21)/t10-,14+/m1/s1
InChIKeyRBSPWTMPPNTTTJ-YGRLFVJLSA-N
XLogP3.02
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 8-methoxy-6-nitro-2-oxochromene-3-carboxylate
CID 166609293
8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
CID 2146237
6,8-dichloro-N-[(1S,2R)-2-methylcyclohexyl]-2-oxochromene-3-carboxamide
CID 7366905
6-methoxy-N-(2-methylcyclohexyl)-2-oxochromene-3-carboxamide
CID 2964707
N-[2-(1-adamantyloxy)ethyl]-8-methoxy-6-nitro-2-oxochromene-3-carboxamide
CID 4917975
8-methoxy-3-(8-methoxy-6-nitro-2-oxochromen-3-yl)sulfonyl-6-nitrochromen-2-one
CID 11699038
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxy-5-nitrobenzamide
CID 104927344
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133
N-(2-chlorocyclopentyl)-2-methoxy-4-nitrobenzamide
CID 106443909
ethyl 3-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-5-nitrobenzoate
CID 9404070
2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7931983
2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 8023831

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide (CID 1244415) is 8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide is COc1cc([N+](=O)[O-])cc2cc(C(=O)N[C@H]3CCCC[C@H]3C)c(=O)oc12.
What is the InChIKey of 8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide?
The InChIKey is RBSPWTMPPNTTTJ-YGRLFVJLSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-10-5-3-4-6-14(10)19-17(21)13-8-11-7-12(20(23)24)9-15(25-2)16(11)26-18(13)22/h7-10,14H,3-6H2,1-2H3,(H,19,21)/t10-,14+/m1/s1.
What are the key properties of 8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide?
8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide is sourced from PubChem (CID 1244415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).