1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

C16H26N2O2 — CID 108970398

IUPAC1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCC(C)NC(=O)C1(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C16H26N2O2/c1-12(2)18-15(20)16(9-10-16)14(19)17-11-8-13-6-4-3-5-7-13/h6,12H,3-5,7-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyJTFIPJSJJGVNNZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.30
Rot. Bonds6

About 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide

1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (PubChem CID 108970398) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
PubChem CID108970398
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
SMILESCC(C)NC(=O)C1(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C16H26N2O2/c1-12(2)18-15(20)16(9-10-16)14(19)17-11-8-13-6-4-3-5-7-13/h6,12H,3-5,7-11H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyJTFIPJSJJGVNNZ-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(cyclohexen-1-yl)ethyl]-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108972559
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108972518
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108972660
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(dimethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972632
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972581
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972578
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(diethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972633
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130626
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108972624

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide (CID 108970398) is 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is CC(C)NC(=O)C1(C(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
The InChIKey is JTFIPJSJJGVNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)18-15(20)16(9-10-16)14(19)17-11-8-13-6-4-3-5-7-13/h6,12H,3-5,7-11H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide?
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).