N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C20H25NO4 — CID 27859428

IUPACN-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N(C)C3CCC(C)CC3)ccc12
InChIInChI=1S/C20H25NO4/c1-13-4-6-15(7-5-13)21(3)19(22)12-24-16-8-9-17-14(2)10-20(23)25-18(17)11-16/h8-11,13,15H,4-7,12H2,1-3H3
InChIKeyIOQPVMCKNNDYBQ-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.52
Rot. Bonds4

About N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 27859428) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID27859428
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N(C)C3CCC(C)CC3)ccc12
InChIInChI=1S/C20H25NO4/c1-13-4-6-15(7-5-13)21(3)19(22)12-24-16-8-9-17-14(2)10-20(23)25-18(17)11-16/h8-11,13,15H,4-7,12H2,1-3H3
InChIKeyIOQPVMCKNNDYBQ-UHFFFAOYSA-N
XLogP3.52
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide
CID 4816840
N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 18156097
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 51287180
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide
CID 60533521
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 7643711
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524874
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 42896195
N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 51139898
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 27859428) is N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)N(C)C3CCC(C)CC3)ccc12.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is IOQPVMCKNNDYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-13-4-6-15(7-5-13)21(3)19(22)12-24-16-8-9-17-14(2)10-20(23)25-18(17)11-16/h8-11,13,15H,4-7,12H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 343.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 27859428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).