1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide

C19H28N2O2 — CID 108979740

IUPAC1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCN(C(=O)C1(C(=O)NCCC(C)C)CC1)c1cccc(C)c1
InChIInChI=1S/C19H28N2O2/c1-5-21(16-8-6-7-15(4)13-16)18(23)19(10-11-19)17(22)20-12-9-14(2)3/h6-8,13-14H,5,9-12H2,1-4H3,(H,20,22)
InChIKeyCNHFQQXWWVZWKC-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.29
Rot. Bonds7

About 1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide

1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108979740) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108979740
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCN(C(=O)C1(C(=O)NCCC(C)C)CC1)c1cccc(C)c1
InChIInChI=1S/C19H28N2O2/c1-5-21(16-8-6-7-15(4)13-16)18(23)19(10-11-19)17(22)20-12-9-14(2)3/h6-8,13-14H,5,9-12H2,1-4H3,(H,20,22)
InChIKeyCNHFQQXWWVZWKC-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970969
N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
CID 108532502
1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980734
1-N-ethyl-2-N-(3-methylbutyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139998
1-N'-ethyl-1-N-(3-fluorophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983655
N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109161223
1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979188
N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972125
N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 109061323
1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979654
N,4-diethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 63128862
1-N-(3-methylbutyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979657

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide (CID 108979740) is 1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide is CCN(C(=O)C1(C(=O)NCCC(C)C)CC1)c1cccc(C)c1.
What is the InChIKey of 1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is CNHFQQXWWVZWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-5-21(16-8-6-7-15(4)13-16)18(23)19(10-11-19)17(22)20-12-9-14(2)3/h6-8,13-14H,5,9-12H2,1-4H3,(H,20,22).
What are the key properties of 1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).