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

C16H27N3O2 — CID 113053094

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)CCC1=CCCCC1
InChIInChI=1S/C16H27N3O2/c1-13(20)19(11-9-14-5-3-2-4-6-14)12-10-17-16(21)18-15-7-8-15/h5,15H,2-4,6-12H2,1H3,(H2,17,18,21)
InChIKeyAFPOOQUIACRQFD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.19
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide (PubChem CID 113053094) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
PubChem CID113053094
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)CCC1=CCCCC1
InChIInChI=1S/C16H27N3O2/c1-13(20)19(11-9-14-5-3-2-4-6-14)12-10-17-16(21)18-15-7-8-15/h5,15H,2-4,6-12H2,1H3,(H2,17,18,21)
InChIKeyAFPOOQUIACRQFD-UHFFFAOYSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.19
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-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113053087
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide
CID 113053040
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-(cyclopropylcarbamoylamino)ethyl]-N-(2-methoxyethyl)acetamide
CID 113053206
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide
CID 113159604
1-[2-(cyclopenten-1-yl)ethyl]-3-(oxan-4-yl)urea
CID 127648179
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-3,4-dimethoxybenzamide
CID 113053058
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
CID 108957378
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113055684
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113053059
3-[2-(cyclohexen-1-yl)ethyl-(cyclopropanecarbonyl)amino]propanoic acid
CID 82323978

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide (CID 113053094) is N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide is CC(=O)N(CCNC(=O)NC1CC1)CCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
The InChIKey is AFPOOQUIACRQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13(20)19(11-9-14-5-3-2-4-6-14)12-10-17-16(21)18-15-7-8-15/h5,15H,2-4,6-12H2,1H3,(H2,17,18,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.19, 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-(cyclopropylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113053094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).