1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide

C18H26N2O2 — CID 108971239

IUPAC1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CNC(=O)C1(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c1-14(2)13-20-17(22)18(10-11-18)16(21)19-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3,(H,19,21)(H,20,22)
InChIKeySCQZJWRDJHGRFP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.29
Rot. Bonds8

About 1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide

1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108971239) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
PubChem CID108971239
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
SMILESCC(C)CNC(=O)C1(C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c1-14(2)13-20-17(22)18(10-11-18)16(21)19-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3,(H,19,21)(H,20,22)
InChIKeySCQZJWRDJHGRFP-UHFFFAOYSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-chlorophenyl)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971222
1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976958
1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108971193
1-N'-ethyl-1-N'-phenyl-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979188
1-N-(2-phenylethyl)-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977138
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
CID 108979218
1-N'-benzyl-1-N-(2-phenylethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108977111
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095026
1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108970621
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide (CID 108971239) is 1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide is CC(C)CNC(=O)C1(C(=O)NCCCc2ccccc2)CC1.
What is the InChIKey of 1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is SCQZJWRDJHGRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(2)13-20-17(22)18(10-11-18)16(21)19-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-methylpropyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).