N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide

C25H27NO5 — CID 3221341

IUPACN-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CCCCC2)cc1OC
InChIInChI=1S/C25H27NO5/c1-29-22-13-12-17(14-23(22)30-2)16-26(19-9-4-3-5-10-19)24(27)20-15-18-8-6-7-11-21(18)31-25(20)28/h6-8,11-15,19H,3-5,9-10,16H2,1-2H3
InChIKeyOSJXMCGGIXVNMI-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.79
Rot. Bonds6

About N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide

N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide (PubChem CID 3221341) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide
PubChem CID3221341
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC NameN-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CCCCC2)cc1OC
InChIInChI=1S/C25H27NO5/c1-29-22-13-12-17(14-23(22)30-2)16-26(19-9-4-3-5-10-19)24(27)20-15-18-8-6-7-11-21(18)31-25(20)28/h6-8,11-15,19H,3-5,9-10,16H2,1-2H3
InChIKeyOSJXMCGGIXVNMI-UHFFFAOYSA-N
XLogP4.79
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-oxochromene-3-carboxamide
CID 86925520
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 3221339
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-2-oxo-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 24678704
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide
CID 22779364
N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-2-oxochromene-3-carboxamide
CID 4615689
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 9482674
N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide
CID 66182545
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 40643645
N-[(3-methoxyphenyl)methyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1157396
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3,5-dibromo-N-cyclohexyl-2-methoxybenzamide
CID 21171013
N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 18115026
N-cyclohexyl-N-ethyl-1-benzofuran-2-carboxamide
CID 60592186

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide (CID 3221341) is N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide is COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CCCCC2)cc1OC.
What is the InChIKey of N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
The InChIKey is OSJXMCGGIXVNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-29-22-13-12-17(14-23(22)30-2)16-26(19-9-4-3-5-10-19)24(27)20-15-18-8-6-7-11-21(18)31-25(20)28/h6-8,11-15,19H,3-5,9-10,16H2,1-2H3.
What are the key properties of N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide?
N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide has a molecular weight of 421.49 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 3221341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).