N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide

C19H33N3O2 — CID 113053087

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC1CCCCC1)CCC1=CCCCC1
InChIInChI=1S/C19H33N3O2/c1-16(23)22(14-12-17-8-4-2-5-9-17)15-13-20-19(24)21-18-10-6-3-7-11-18/h8,18H,2-7,9-15H2,1H3,(H2,20,21,24)
InChIKeyUGXZISFTURDSQE-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.36
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide (PubChem CID 113053087) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
PubChem CID113053087
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC1CCCCC1)CCC1=CCCCC1
InChIInChI=1S/C19H33N3O2/c1-16(23)22(14-12-17-8-4-2-5-9-17)15-13-20-19(24)21-18-10-6-3-7-11-18/h8,18H,2-7,9-15H2,1H3,(H2,20,21,24)
InChIKeyUGXZISFTURDSQE-UHFFFAOYSA-N
XLogP3.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.36
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

N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113053094
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide
CID 113053040
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113055684
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-(2-fluorophenyl)acetamide
CID 113053081
4-N-cycloheptyl-1-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109146382
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-cyclohexylcyclohexane-1,4-dicarboxamide
CID 109146079
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide
CID 113159604
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113054788
1-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3-cyclohexylurea
CID 113039355
1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea
CID 127648179
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(cyclooctylamino)acetamide
CID 9265253

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide (CID 113053087) is N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide is CC(=O)N(CCNC(=O)NC1CCCCC1)CCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide?
The InChIKey is UGXZISFTURDSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-16(23)22(14-12-17-8-4-2-5-9-17)15-13-20-19(24)21-18-10-6-3-7-11-18/h8,18H,2-7,9-15H2,1H3,(H2,20,21,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide has a molecular weight of 335.49 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113053087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).