N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide

C34H29NO6 — CID 166063280

IUPACN-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(OCc4ccccc4)cc3)oc2c1-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C34H29NO6/c1-38-29-19-30(39-2)32-27(36)18-28(22-12-16-26(17-13-22)40-20-21-6-4-3-5-7-21)41-33(32)31(29)23-8-10-24(11-9-23)34(37)35-25-14-15-25/h3-13,16-19,25H,14-15,20H2,1-2H3,(H,35,37)
InChIKeyZHUSXTOOISMKKG-UHFFFAOYSA-N
MW547.61 g/mol
LogP6.62
Rot. Bonds9

About N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide

N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide (PubChem CID 166063280) has the molecular formula C34H29NO6 and a molecular weight of 547.61 g/mol. Its IUPAC name is N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide
PubChem CID166063280
Molecular FormulaC34H29NO6
Molecular Weight547.61 g/mol
Exact Mass547.20
IUPAC NameN-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(OCc4ccccc4)cc3)oc2c1-c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C34H29NO6/c1-38-29-19-30(39-2)32-27(36)18-28(22-12-16-26(17-13-22)40-20-21-6-4-3-5-7-21)41-33(32)31(29)23-8-10-24(11-9-23)34(37)35-25-14-15-25/h3-13,16-19,25H,14-15,20H2,1-2H3,(H,35,37)
InChIKeyZHUSXTOOISMKKG-UHFFFAOYSA-N
XLogP6.62
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.61
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-dimethoxy-8-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-8-(4-methoxyphenyl)chromen-4-one
CID 175483598
7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 178187643
[7-methoxy-4-oxo-2-(4-phenylmethoxyphenyl)-6-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]chromen-5-yl] benzoate
CID 71725630
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
methyl 4-(5-methoxy-4,8-dioxo-2-phenyl-9,10-dihydropyrano[2,3-h]chromen-10-yl)benzoate
CID 71827106
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
N-cyclopropyl-4-methyl-2-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 154339440
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-phenylmethoxybenzamide
CID 16606665
O-[4-(5,6-dimethoxy-4-oxo-7-phenylmethoxychromen-2-yl)phenyl] methanethioate
CID 19358648
7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde
CID 86028919
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide (CID 166063280) is N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide is COc1cc(OC)c2c(=O)cc(-c3ccc(OCc4ccccc4)cc3)oc2c1-c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide?
The InChIKey is ZHUSXTOOISMKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29NO6/c1-38-29-19-30(39-2)32-27(36)18-28(22-12-16-26(17-13-22)40-20-21-6-4-3-5-7-21)41-33(32)31(29)23-8-10-24(11-9-23)34(37)35-25-14-15-25/h3-13,16-19,25H,14-15,20H2,1-2H3,(H,35,37).
What are the key properties of N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide?
N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide has a molecular weight of 547.61 g/mol, XLogP of 6.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[5,7-dimethoxy-4-oxo-2-(4-phenylmethoxyphenyl)chromen-8-yl]benzamide is sourced from PubChem (CID 166063280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).