1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide

C16H28N2O2 — CID 108971049

IUPAC1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide
SMILESCCCCNC(=O)C1(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-2-3-12-17-14(19)16(10-11-16)15(20)18-13-8-6-4-5-7-9-13/h13H,2-12H2,1H3,(H,17,19)(H,18,20)
InChIKeyPGVRRWJSSLSNEV-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.52
Rot. Bonds6

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

1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide (PubChem CID 108971049) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide
PubChem CID108971049
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide
SMILESCCCCNC(=O)C1(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C16H28N2O2/c1-2-3-12-17-14(19)16(10-11-16)15(20)18-13-8-6-4-5-7-9-13/h13H,2-12H2,1H3,(H,17,19)(H,18,20)
InChIKeyPGVRRWJSSLSNEV-UHFFFAOYSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.52
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'-cyclohexyl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108972201
1-N-cyclohexyl-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970589
1-N'-cycloheptyl-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971243
1-N'-cycloheptyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977110
1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279
1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973625
1-N-butyl-1-N'-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108970983
N-cyclohexyl-1-hexylcyclobutane-1-carboxamide
CID 57011440
N-cyclohexyl-1-methylcyclopropane-1-carboxamide
CID 130162659
N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970977
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
N'-cyclopentyl-N-pentylpropanediamide
CID 108942192

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide (CID 108971049) is 1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide is CCCCNC(=O)C1(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of 1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide?
The InChIKey is PGVRRWJSSLSNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-3-12-17-14(19)16(10-11-16)15(20)18-13-8-6-4-5-7-9-13/h13H,2-12H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide?
1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.52, 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'-cycloheptylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).