N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide

C25H27NO4 — CID 46303054

IUPACN-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide
SMILESCc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H27NO4/c1-16-12-14-18(15-13-16)23-24(22(27)20-10-6-7-11-21(20)30-23)29-17(2)25(28)26-19-8-4-3-5-9-19/h6-7,10-15,17,19H,3-5,8-9H2,1-2H3,(H,26,28)
InChIKeyQBTMWLQAPFJLOH-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.98
Rot. Bonds5

About N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide

N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide (PubChem CID 46303054) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide
PubChem CID46303054
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC NameN-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide
SMILESCc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H27NO4/c1-16-12-14-18(15-13-16)23-24(22(27)20-10-6-7-11-21(20)30-23)29-17(2)25(28)26-19-8-4-3-5-9-19/h6-7,10-15,17,19H,3-5,8-9H2,1-2H3,(H,26,28)
InChIKeyQBTMWLQAPFJLOH-UHFFFAOYSA-N
XLogP4.98
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide
CID 46303284
2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one
CID 46303053
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 42969499
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-oxochromene-2-carboxylate
CID 2630507
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(2-phenylethyl)propanamide
CID 46303341
N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 1413410
methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanoylamino]thiophene-3-carboxylate
CID 46303097
3-methoxy-2-(4-methylphenyl)chromen-4-one
CID 139049420
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide?
The IUPAC name of N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide (CID 46303054) is N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide?
The canonical SMILES for N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide is Cc1ccc(-c2oc3ccccc3c(=O)c2OC(C)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide?
The InChIKey is QBTMWLQAPFJLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-16-12-14-18(15-13-16)23-24(22(27)20-10-6-7-11-21(20)30-23)29-17(2)25(28)26-19-8-4-3-5-9-19/h6-7,10-15,17,19H,3-5,8-9H2,1-2H3,(H,26,28).
What are the key properties of N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide?
N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide has a molecular weight of 405.49 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide is sourced from PubChem (CID 46303054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).