N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide

C16H27N3O2 — CID 84586773

IUPACN-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide
SMILESCN(CCCNC(=O)NC1C=CCCC1)C(=O)C1CCC1
InChIInChI=1S/C16H27N3O2/c1-19(15(20)13-7-5-8-13)12-6-11-17-16(21)18-14-9-3-2-4-10-14/h3,9,13-14H,2,4-8,10-12H2,1H3,(H2,17,18,21)
InChIKeyNHWOPPGZNIJYNR-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.04
Rot. Bonds6

About N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide

N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide (PubChem CID 84586773) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide
PubChem CID84586773
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide
SMILESCN(CCCNC(=O)NC1C=CCCC1)C(=O)C1CCC1
InChIInChI=1S/C16H27N3O2/c1-19(15(20)13-7-5-8-13)12-6-11-17-16(21)18-14-9-3-2-4-10-14/h3,9,13-14H,2,4-8,10-12H2,1H3,(H2,17,18,21)
InChIKeyNHWOPPGZNIJYNR-UHFFFAOYSA-N
XLogP2.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(tert-butyl)-4-((cyclohex-3-enecarboxamido)methyl)piperidine-1-carboxamide
CID 71796755
N-tert-butyl-4-{[(S)-3-cyclohexen-1-ylcarbonylamino]methyl}-1-piperidinecarboxamide
CID 95986159
1-(1-acetylpiperidin-4-yl)-3-[[1-[(Z)-but-2-enyl]cyclobutyl]methyl]urea
CID 70991515
N-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide
CID 91408859
N-(2-methylbut-3-enyl)-3-[2-[[methyl(propan-2-yl)carbamoyl]amino]ethyl]pent-3-enamide
CID 130183363
1-(1-acetylpiperidin-4-yl)-3-[(2E,3Z)-1-cyclobutyl-2-ethylidenehexa-3,5-dienyl]urea
CID 170580136
N-(Cyclohex-2-en-1-yl)cyclobutanecarboxamide
CID 13421078
1-Cyclohex-2-en-1-yl-3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]urea
CID 71969521
N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71989948
3-[2-(cyclohex-3-en-1-ylamino)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 72001866
3-N-cyclohex-3-en-1-yl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 72001870
N-tert-butyl-4-[(2-cyclopent-2-en-1-ylacetyl)amino]piperidine-1-carboxamide
CID 75440176

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide (CID 84586773) is N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide is CN(CCCNC(=O)NC1C=CCCC1)C(=O)C1CCC1.
What is the InChIKey of N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide?
The InChIKey is NHWOPPGZNIJYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-19(15(20)13-7-5-8-13)12-6-11-17-16(21)18-14-9-3-2-4-10-14/h3,9,13-14H,2,4-8,10-12H2,1H3,(H2,17,18,21).
What are the key properties of N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide?
N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohex-2-en-1-ylcarbamoylamino)propyl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 84586773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).