1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide

C21H24N2O3 — CID 108977748

IUPAC1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2(C(=O)N(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-23(17-6-4-3-5-7-17)20(25)21(13-14-21)19(24)22-15-12-16-8-10-18(26-2)11-9-16/h3-11H,12-15H2,1-2H3,(H,22,24)
InChIKeyGJJKLVPKMFJJQT-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.80
Rot. Bonds7

About 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide

1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide (PubChem CID 108977748) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
PubChem CID108977748
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2(C(=O)N(C)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-23(17-6-4-3-5-7-17)20(25)21(13-14-21)19(24)22-15-12-16-8-10-18(26-2)11-9-16/h3-11H,12-15H2,1-2H3,(H,22,24)
InChIKeyGJJKLVPKMFJJQT-UHFFFAOYSA-N
XLogP2.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.80
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,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-N'-phenylpropanediamide
CID 108948794
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972578
1-N-(2,5-dimethoxyphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108980986
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 4682158
N-[2-(4-methoxyphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 171793117
1-N'-(3-methoxyphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977779
1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977761
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
CID 108901911
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
1-N'-methyl-1-N-(4-phenoxyphenyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981009
1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108977111

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide (CID 108977748) is 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide is COc1ccc(CCNC(=O)C2(C(=O)N(C)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The InChIKey is GJJKLVPKMFJJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-23(17-6-4-3-5-7-17)20(25)21(13-14-21)19(24)22-15-12-16-8-10-18(26-2)11-9-16/h3-11H,12-15H2,1-2H3,(H,22,24).
What are the key properties of 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).