1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide

C19H20N2O3 — CID 108974834

IUPAC1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-16-9-7-15(8-10-16)21-18(23)19(11-12-19)17(22)20-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,22)(H,21,23)
InChIKeySXVTYTCJHJCPQB-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.73
Rot. Bonds6

About 1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide

1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108974834) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108974834
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O3/c1-24-16-9-7-15(8-10-16)21-18(23)19(11-12-19)17(22)20-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,22)(H,21,23)
InChIKeySXVTYTCJHJCPQB-UHFFFAOYSA-N
XLogP2.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
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-[(4-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976318
1-N'-(4-cyanophenyl)-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976395
1-N-benzyl-1-N'-(3,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974842
1-N-(furan-2-ylmethyl)-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974663
1-N'-(2,6-diethylphenyl)-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976338
1-N'-(2-tert-butylphenyl)-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976340
methyl 2-[[1-[(4-methoxyphenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108976373
1-N'-(3-methoxyphenyl)-1-N-[(4-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975290
ethyl 2-[[1-[(4-methoxyphenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108976392
1-N-[(2-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976196
1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108974881
1-N'-(4-chlorophenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976103

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide (CID 108974834) is 1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide is COc1ccc(NC(=O)C2(C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of 1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is SXVTYTCJHJCPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-16-9-7-15(8-10-16)21-18(23)19(11-12-19)17(22)20-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108974834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).