N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide

C22H21NO3 — CID 18568668

IUPACN-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C1CCCCC1
InChIInChI=1S/C22H21NO3/c24-19-14-21(15-7-3-1-4-8-15)26-20-12-11-17(13-18(19)20)23-22(25)16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,23,25)
InChIKeyZHPWDEJALFGZQF-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.98
Rot. Bonds3

About N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide

N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide (PubChem CID 18568668) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide
PubChem CID18568668
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C1CCCCC1
InChIInChI=1S/C22H21NO3/c24-19-14-21(15-7-3-1-4-8-15)26-20-12-11-17(13-18(19)20)23-22(25)16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,23,25)
InChIKeyZHPWDEJALFGZQF-UHFFFAOYSA-N
XLogP4.98
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
CID 18568688
N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
CID 18568687
N-dibenzofuran-3-ylcyclohexanecarboxamide
CID 2833464
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide
CID 98476168
cyclohexyl 2-(4-oxo-2-phenylchromen-6-yl)oxypropanoate
CID 2978712
N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-5-yl]cyclohexanecarboxamide
CID 20931096
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
2-chloro-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]-2-phenylacetamide
CID 110274473
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]cyclopropanecarboxamide
CID 98476235
[(1S)-2-methoxy-2-oxo-1-phenylethyl] (2R)-2-[(4-oxo-2-phenylchromen-6-yl)amino]-2-phenylacetate
CID 101482306
N-[4-[5-(cyclohexanecarbonylamino)-1,3-benzoxazol-2-yl]phenyl]cyclohexanecarboxamide
CID 1092407
N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]cyclohexanecarboxamide
CID 839397

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide?
The IUPAC name of N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide (CID 18568668) is N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide is O=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C1CCCCC1.
What is the InChIKey of N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide?
The InChIKey is ZHPWDEJALFGZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c24-19-14-21(15-7-3-1-4-8-15)26-20-12-11-17(13-18(19)20)23-22(25)16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2,(H,23,25).
What are the key properties of N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide?
N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide has a molecular weight of 347.41 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide is sourced from PubChem (CID 18568668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).