1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide

C18H26N2O4 — CID 108972881

IUPAC1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
SMILESCOCCCNC(=O)C1(C(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C18H26N2O4/c1-23-13-5-11-19-16(21)18(9-10-18)17(22)20-12-8-14-6-3-4-7-15(14)24-2/h3-4,6-7H,5,8-13H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDLJHFJXHJMPRNC-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.29
Rot. Bonds10

About 1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide

1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108972881) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
PubChem CID108972881
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
SMILESCOCCCNC(=O)C1(C(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C18H26N2O4/c1-23-13-5-11-19-16(21)18(9-10-18)17(22)20-12-8-14-6-3-4-7-15(14)24-2/h3-4,6-7H,5,8-13H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDLJHFJXHJMPRNC-UHFFFAOYSA-N
XLogP1.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(2-methoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974919
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 106262398
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973605
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977592
1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977627
1-carbamothioyl-N-[2-(2-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 106261282
1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972921
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
2-amino-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 106260897
3-methoxy-N-[2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 106261296
(2S)-1-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730947
N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 103808122

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide (CID 108972881) is 1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide is COCCCNC(=O)C1(C(=O)NCCc2ccccc2OC)CC1.
What is the InChIKey of 1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is DLJHFJXHJMPRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-23-13-5-11-19-16(21)18(9-10-18)17(22)20-12-8-14-6-3-4-7-15(14)24-2/h3-4,6-7H,5,8-13H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide?
1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.29, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108972881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).