N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

C20H25NO4 — CID 51139898

IUPACN-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)N(C)C3CCCCC3)ccc12
InChIInChI=1S/C20H25NO4/c1-13-11-19(22)25-18-12-16(9-10-17(13)18)24-14(2)20(23)21(3)15-7-5-4-6-8-15/h9-12,14-15H,4-8H2,1-3H3
InChIKeyQREMHYUAJFIGRE-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.66
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide

N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (PubChem CID 51139898) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
PubChem CID51139898
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
SMILESCc1cc(=O)oc2cc(OC(C)C(=O)N(C)C3CCCCC3)ccc12
InChIInChI=1S/C20H25NO4/c1-13-11-19(22)25-18-12-16(9-10-17(13)18)24-14(2)20(23)21(3)15-7-5-4-6-8-15/h9-12,14-15H,4-8H2,1-3H3
InChIKeyQREMHYUAJFIGRE-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
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,N-dicyclohexyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 19191715
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8858957
4-methyl-7-(3-oxopentan-2-yloxy)chromen-2-one
CID 64866959
N-cyclohexyl-N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 18156097
(2S)-N-cyclopentyl-N-methyl-2-naphthalen-2-yloxypropanamide
CID 38015885
N-methyl-N-(4-methylcyclohexyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 27859428
2-methylpropyl 2-(4-methyl-2-oxochromen-7-yl)oxypropanoate
CID 23883278
4-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]oxybenzamide
CID 51142647
(2R)-N-tert-butyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 734864
(2S)-N-carbamoyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide
CID 2108923
7-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7967902

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide (CID 51139898) is N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is Cc1cc(=O)oc2cc(OC(C)C(=O)N(C)C3CCCCC3)ccc12.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
The InChIKey is QREMHYUAJFIGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-13-11-19(22)25-18-12-16(9-10-17(13)18)24-14(2)20(23)21(3)15-7-5-4-6-8-15/h9-12,14-15H,4-8H2,1-3H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide?
N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide has a molecular weight of 343.42 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 51139898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).