N-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide

C26H23NO5 — CID 155387975

IUPACN-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide
SMILESCOc1ccc(NC(=O)c2c(OCc3ccccc3)ccc3c(=O)c(C)c(C)oc23)cc1
InChIInChI=1S/C26H23NO5/c1-16-17(2)32-25-21(24(16)28)13-14-22(31-15-18-7-5-4-6-8-18)23(25)26(29)27-19-9-11-20(30-3)12-10-19/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeyOMORWUOFXBCRRL-UHFFFAOYSA-N
MW429.47 g/mol
LogP5.25
Rot. Bonds6

About N-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide

N-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide (PubChem CID 155387975) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide
PubChem CID155387975
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC NameN-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide
SMILESCOc1ccc(NC(=O)c2c(OCc3ccccc3)ccc3c(=O)c(C)c(C)oc23)cc1
InChIInChI=1S/C26H23NO5/c1-16-17(2)32-25-21(24(16)28)13-14-22(31-15-18-7-5-4-6-8-18)23(25)26(29)27-19-9-11-20(30-3)12-10-19/h4-14H,15H2,1-3H3,(H,27,29)
InChIKeyOMORWUOFXBCRRL-UHFFFAOYSA-N
XLogP5.25
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide
CID 155387963
2-methoxy-N-(4-methoxyphenyl)-6-phenylmethoxybenzamide
CID 44762771
5-methyl-N-(4-phenylmethoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392937
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 32889747
8-[(dibenzylamino)methyl]-7-[(4-methoxyphenyl)methoxy]-2-methylchromen-4-one
CID 46933664
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide (CID 155387975) is N-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide is COc1ccc(NC(=O)c2c(OCc3ccccc3)ccc3c(=O)c(C)c(C)oc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide?
The InChIKey is OMORWUOFXBCRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-16-17(2)32-25-21(24(16)28)13-14-22(31-15-18-7-5-4-6-8-18)23(25)26(29)27-19-9-11-20(30-3)12-10-19/h4-14H,15H2,1-3H3,(H,27,29).
What are the key properties of N-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide?
N-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide has a molecular weight of 429.47 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,3-dimethyl-4-oxo-7-phenylmethoxychromene-8-carboxamide is sourced from PubChem (CID 155387975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).