1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide

C19H28N2O3 — CID 108972946

IUPAC1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
SMILESCOCCCNC(=O)C1(C(=O)Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C19H28N2O3/c1-18(2,3)14-8-5-6-9-15(14)21-17(23)19(10-11-19)16(22)20-12-7-13-24-4/h5-6,8-9H,7,10-13H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyZNLSXAHCMYAYMC-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.86
Rot. Bonds7

About 1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide

1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108972946) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
PubChem CID108972946
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
SMILESCOCCCNC(=O)C1(C(=O)Nc2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C19H28N2O3/c1-18(2,3)14-8-5-6-9-15(14)21-17(23)19(10-11-19)16(22)20-12-7-13-24-4/h5-6,8-9H,7,10-13H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyZNLSXAHCMYAYMC-UHFFFAOYSA-N
XLogP2.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.86
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'-(2-tert-butylphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977143
1-N'-(2-tert-butylphenyl)-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976340
1-N'-(2-tert-butylphenyl)-1-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108978388
1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972742
1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108982236
1-N-(2-tert-butylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979076
1-N'-[2-(2-methoxyphenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972881
1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972836
1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979794
methyl 2-[[1-(pentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108979812
1-N-[3-(dimethylamino)propyl]-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973832
1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971075

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide (CID 108972946) is 1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide is COCCCNC(=O)C1(C(=O)Nc2ccccc2C(C)(C)C)CC1.
What is the InChIKey of 1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is ZNLSXAHCMYAYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-18(2,3)14-8-5-6-9-15(14)21-17(23)19(10-11-19)16(22)20-12-7-13-24-4/h5-6,8-9H,7,10-13H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-tert-butylphenyl)-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108972946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).