N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide

C19H26N2O2 — CID 113053040

IUPACN-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1)CCC1=CCCCC1
InChIInChI=1S/C19H26N2O2/c1-16(22)21(14-12-17-8-4-2-5-9-17)15-13-20-19(23)18-10-6-3-7-11-18/h3,6-8,10-11H,2,4-5,9,12-15H2,1H3,(H,20,23)
InChIKeyGUHVWOAYPYTASI-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.16
Rot. Bonds7

About N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide

N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide (PubChem CID 113053040) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide
PubChem CID113053040
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1)CCC1=CCCCC1
InChIInChI=1S/C19H26N2O2/c1-16(22)21(14-12-17-8-4-2-5-9-17)15-13-20-19(23)18-10-6-3-7-11-18/h3,6-8,10-11H,2,4-5,9,12-15H2,1H3,(H,20,23)
InChIKeyGUHVWOAYPYTASI-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053069
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113053081
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 113053058
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113053059
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109052412
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113053094
N-[2-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111208397
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
CID 113055959
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113053087
N-[3-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]benzamide
CID 111208755
N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide
CID 110839487
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide (CID 113053040) is N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide is CC(=O)N(CCNC(=O)c1ccccc1)CCC1=CCCCC1.
What is the InChIKey of N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide?
The InChIKey is GUHVWOAYPYTASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-16(22)21(14-12-17-8-4-2-5-9-17)15-13-20-19(23)18-10-6-3-7-11-18/h3,6-8,10-11H,2,4-5,9,12-15H2,1H3,(H,20,23).
What are the key properties of N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide?
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide has a molecular weight of 314.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide is sourced from PubChem (CID 113053040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).