1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide

C21H32N2O2 — CID 109132739

IUPAC1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C21H32N2O2/c24-20(22-13-11-16-7-3-1-4-8-16)18-15-19(18)21(25)23-14-12-17-9-5-2-6-10-17/h7,9,18-19H,1-6,8,10-15H2,(H,22,24)(H,23,25)
InChIKeyCQOBMTYGQBKNNR-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.64
Rot. Bonds8

About 1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide

1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109132739) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109132739
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCC1=CCCCC1)C1CC1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C21H32N2O2/c24-20(22-13-11-16-7-3-1-4-8-16)18-15-19(18)21(25)23-14-12-17-9-5-2-6-10-17/h7,9,18-19H,1-6,8,10-15H2,(H,22,24)(H,23,25)
InChIKeyCQOBMTYGQBKNNR-UHFFFAOYSA-N
XLogP3.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130626
1-N-[2-(cyclohexen-1-yl)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109132801
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132849
1-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132874
1-N-(2-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132835
(1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 40532196
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109132767
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132821
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-ethyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109132824
N-[2-(cyclohexen-1-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267549
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132859
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132856

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide (CID 109132739) is 1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide is O=C(NCCC1=CCCCC1)C1CC1C(=O)NCCC1=CCCCC1.
What is the InChIKey of 1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is CQOBMTYGQBKNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c24-20(22-13-11-16-7-3-1-4-8-16)18-15-19(18)21(25)23-14-12-17-9-5-2-6-10-17/h7,9,18-19H,1-6,8,10-15H2,(H,22,24)(H,23,25).
What are the key properties of 1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide?
1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109132739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).