2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide

C21H26N2O5 — CID 8563832

IUPAC2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESCc1cc(=O)oc2c(C)c(OCC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)ccc12
InChIInChI=1S/C21H26N2O5/c1-12-6-4-5-7-16(12)22-21(26)23-18(24)11-27-17-9-8-15-13(2)10-19(25)28-20(15)14(17)3/h8-10,12,16H,4-7,11H2,1-3H3,(H2,22,23,24,26)/t12-,16+/m0/s1
InChIKeyFHZYJWZNPJMYKX-BLLLJJGKSA-N
MW386.45 g/mol
LogP3.19
Rot. Bonds4

About 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide

2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide (PubChem CID 8563832) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
PubChem CID8563832
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESCc1cc(=O)oc2c(C)c(OCC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)ccc12
InChIInChI=1S/C21H26N2O5/c1-12-6-4-5-7-16(12)22-21(26)23-18(24)11-27-17-9-8-15-13(2)10-19(25)28-20(15)14(17)3/h8-10,12,16H,4-7,11H2,1-3H3,(H2,22,23,24,26)/t12-,16+/m0/s1
InChIKeyFHZYJWZNPJMYKX-BLLLJJGKSA-N
XLogP3.19
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8563829
2-(2-chloro-5-methylphenoxy)-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 46786987
2-(2-formyl-4-methoxyphenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8634198
2-(2-methoxy-5-nitrophenoxy)-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7931983
2-(2-chloro-4-nitrophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7866088
N-[3-(dimethylamino)propyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4903604
2-(5-chloroquinolin-8-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 8716448
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 11934407
2-(4-acetamidophenoxy)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7203614
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
CID 8564314
N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700608
2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7818980

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The IUPAC name of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide (CID 8563832) is 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The canonical SMILES for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide is Cc1cc(=O)oc2c(C)c(OCC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)ccc12.
What is the InChIKey of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The InChIKey is FHZYJWZNPJMYKX-BLLLJJGKSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-12-6-4-5-7-16(12)22-21(26)23-18(24)11-27-17-9-8-15-13(2)10-19(25)28-20(15)14(17)3/h8-10,12,16H,4-7,11H2,1-3H3,(H2,22,23,24,26)/t12-,16+/m0/s1.
What are the key properties of 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide has a molecular weight of 386.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 8563832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).