N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide

C17H30N2O2 — CID 108958156

IUPACN-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
SMILESCCC(C)NC(=O)C(C)(C)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H30N2O2/c1-5-13(2)19-16(21)17(3,4)15(20)18-12-11-14-9-7-6-8-10-14/h9,13H,5-8,10-12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyPASSIEWBQJHUMC-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.93
Rot. Bonds7

About N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide

N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108958156) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108958156
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
SMILESCCC(C)NC(=O)C(C)(C)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H30N2O2/c1-5-13(2)19-16(21)17(3,4)15(20)18-12-11-14-9-7-6-8-10-14/h9,13H,5-8,10-12H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyPASSIEWBQJHUMC-UHFFFAOYSA-N
XLogP2.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.93
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

N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
CID 108957378
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108959319
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264692
N-(4-chlorophenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959378
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108959365
N-(4-acetylphenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959402
2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide
CID 55028534
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108959301
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 134045449
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108970398
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide (CID 108958156) is N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide is CCC(C)NC(=O)C(C)(C)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is PASSIEWBQJHUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-13(2)19-16(21)17(3,4)15(20)18-12-11-14-9-7-6-8-10-14/h9,13H,5-8,10-12H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide?
N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 294.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108958156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).