1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide

C12H22N2O3 — CID 108970983

IUPAC1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
SMILESCCCCNC(=O)C1(C(=O)NCCOC)CC1
InChIInChI=1S/C12H22N2O3/c1-3-4-7-13-10(15)12(5-6-12)11(16)14-8-9-17-2/h3-9H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyQVYIUQUYKQXIGN-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.45
Rot. Bonds8

About 1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide

1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108970983) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108970983
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
SMILESCCCCNC(=O)C1(C(=O)NCCOC)CC1
InChIInChI=1S/C12H22N2O3/c1-3-4-7-13-10(15)12(5-6-12)11(16)14-8-9-17-2/h3-9H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyQVYIUQUYKQXIGN-UHFFFAOYSA-N
XLogP0.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.45
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-(3-methoxypropyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970400
1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972742
1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279
1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979327
1-N-(2-methoxyethyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972761
1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide
CID 108971049
N-butyl-1-[[2-(2-methoxyethylamino)acetyl]amino]cyclohexane-1-carboxamide
CID 119767246
N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970977
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
1-carbamothioyl-N-pentylcyclopropane-1-carboxamide
CID 80592483
2-(butylcarbamoylamino)-N-(2-methoxyethyl)acetamide
CID 115574241
1-N'-butan-2-yl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108971439

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide (CID 108970983) is 1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide is CCCCNC(=O)C1(C(=O)NCCOC)CC1.
What is the InChIKey of 1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is QVYIUQUYKQXIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-4-7-13-10(15)12(5-6-12)11(16)14-8-9-17-2/h3-9H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide?
1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).