1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide

C14H18N2O3 — CID 108972742

IUPAC1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCOCCNC(=O)C1(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-19-10-9-15-12(17)14(7-8-14)13(18)16-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,17)(H,16,18)
InChIKeyRRFKPRWLILOALA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.17
Rot. Bonds6

About 1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide

1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide (PubChem CID 108972742) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
PubChem CID108972742
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCOCCNC(=O)C1(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-19-10-9-15-12(17)14(7-8-14)13(18)16-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,17)(H,16,18)
InChIKeyRRFKPRWLILOALA-UHFFFAOYSA-N
XLogP1.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(4-cyanophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972843
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
1-N-[(4-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976318
1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972836
1-N-(2-methoxyethyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972761
1-N-[(2-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976196
1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970349
1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972809
1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972828
1-N-(3-methoxypropyl)-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972989
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide (CID 108972742) is 1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide is COCCNC(=O)C1(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The InChIKey is RRFKPRWLILOALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-10-9-15-12(17)14(7-8-14)13(18)16-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide?
1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108972742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).