1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide

C15H20N2O2 — CID 108971062

IUPAC1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCCCCNC(=O)C1(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C15H20N2O2/c1-2-3-11-16-13(18)15(9-10-15)14(19)17-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,16,18)(H,17,19)
InChIKeyRLMSABMRIAVATM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.32
Rot. Bonds6

About 1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide

1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide (PubChem CID 108971062) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
PubChem CID108971062
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
SMILESCCCCNC(=O)C1(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C15H20N2O2/c1-2-3-11-16-13(18)15(9-10-15)14(19)17-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,16,18)(H,17,19)
InChIKeyRLMSABMRIAVATM-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.32
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'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979810
1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979783
1-N-butyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971075
1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972742
methyl 3-[[1-(butylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108971120
1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979827
1-N'-(4-phenoxyphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970349
1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979795
1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979858
1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979823
1-N-butyl-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971107
1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979794

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide (CID 108971062) is 1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide is CCCCNC(=O)C1(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
The InChIKey is RLMSABMRIAVATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-3-11-16-13(18)15(9-10-15)14(19)17-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide?
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).