1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide

C24H22N2O3 — CID 108981009

IUPAC1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCN(C(=O)C1(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-26(19-8-4-2-5-9-19)23(28)24(16-17-24)22(27)25-18-12-14-21(15-13-18)29-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,25,27)
InChIKeySIGRDZSMQKZRTM-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.86
Rot. Bonds6

About 1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide

1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide (PubChem CID 108981009) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
PubChem CID108981009
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCN(C(=O)C1(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H22N2O3/c1-26(19-8-4-2-5-9-19)23(28)24(16-17-24)22(27)25-18-12-14-21(15-13-18)29-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,25,27)
InChIKeySIGRDZSMQKZRTM-UHFFFAOYSA-N
XLogP4.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981003
1-N-(2,5-dimethoxyphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108980986
1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970349
1-N-cyclopropyl-1-N'-(4-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108970739
1-N-(2-ethylphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108980952
1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108977748
1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981020
3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide
CID 146022356
1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976574
1-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981000
1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980280
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317

Frequently Asked Questions

What is the IUPAC name of 1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide (CID 108981009) is 1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide is CN(C(=O)C1(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The InChIKey is SIGRDZSMQKZRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-26(19-8-4-2-5-9-19)23(28)24(16-17-24)22(27)25-18-12-14-21(15-13-18)29-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,25,27).
What are the key properties of 1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide?
1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).