N-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide

C23H23NO3 — CID 16957079

IUPACN-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide
SMILESCc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)C3CCCCC3)oc12
InChIInChI=1S/C23H23NO3/c1-15-9-8-14-18-20(25)19(16-10-4-2-5-11-16)23(27-21(15)18)24-22(26)17-12-6-3-7-13-17/h2,4-5,8-11,14,17H,3,6-7,12-13H2,1H3,(H,24,26)
InChIKeyXGHZVTZCTBKOQU-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.29
Rot. Bonds3

About N-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide

N-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide (PubChem CID 16957079) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide
PubChem CID16957079
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC NameN-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide
SMILESCc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)C3CCCCC3)oc12
InChIInChI=1S/C23H23NO3/c1-15-9-8-14-18-20(25)19(16-10-4-2-5-11-16)23(27-21(15)18)24-22(26)17-12-6-3-7-13-17/h2,4-5,8-11,14,17H,3,6-7,12-13H2,1H3,(H,24,26)
InChIKeyXGHZVTZCTBKOQU-UHFFFAOYSA-N
XLogP5.29
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-methyl-3-(3-methylphenyl)-4-oxoquinolin-2-yl]cyclohexanecarboxamide
CID 4908379
N-(2,4-diphenyl-1,3-oxazol-5-yl)cyclohexanecarboxamide
CID 25010438
N-(2-amino-6-methylphenyl)cyclohexanecarboxamide
CID 43152327
N-(8-methyl-3-naphthalen-1-yl-4-oxochromen-2-yl)thiophene-2-carboxamide
CID 7693008
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide
CID 839397
N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide
CID 18568668
N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
CID 18568687
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)cyclohexanecarboxamide
CID 18282898
3-methoxy-8-methyl-4-oxochromene-2-carboxylic acid
CID 83824191
N-(2-carbamothioyl-3-methylphenyl)cyclohexanecarboxamide
CID 107805800
N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
CID 18568688
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide (CID 16957079) is N-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide is Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)C3CCCCC3)oc12.
What is the InChIKey of N-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide?
The InChIKey is XGHZVTZCTBKOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-15-9-8-14-18-20(25)19(16-10-4-2-5-11-16)23(27-21(15)18)24-22(26)17-12-6-3-7-13-17/h2,4-5,8-11,14,17H,3,6-7,12-13H2,1H3,(H,24,26).
What are the key properties of N-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide?
N-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide has a molecular weight of 361.44 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-4-oxo-3-phenylchromen-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 16957079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).