N'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide

C16H24N2O2 — CID 167714471

IUPACN'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide
SMILESC=C(C)[C@@H]1CC=C(CNC(=O)C(=O)NC2CCC2)CC1
InChIInChI=1S/C16H24N2O2/c1-11(2)13-8-6-12(7-9-13)10-17-15(19)16(20)18-14-4-3-5-14/h6,13-14H,1,3-5,7-10H2,2H3,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKeyLHCILNPUBFDEMQ-CYBMUJFWSA-N
MW276.38 g/mol
LogP2.07
Rot. Bonds4

About N'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide

N'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide (PubChem CID 167714471) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide
PubChem CID167714471
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide
SMILESC=C(C)[C@@H]1CC=C(CNC(=O)C(=O)NC2CCC2)CC1
InChIInChI=1S/C16H24N2O2/c1-11(2)13-8-6-12(7-9-13)10-17-15(19)16(20)18-14-4-3-5-14/h6,13-14H,1,3-5,7-10H2,2H3,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKeyLHCILNPUBFDEMQ-CYBMUJFWSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-((1R,5S)-2-methyl-5-(2-propionamidopropan-2-yl)cyclohex-2-en-1-yl)propionamide
CID 658528
N-[2-(1-cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)ethanediamide
CID 2291103
N-{1-methyl-1-[4-methyl-5-(propanoylamino)cyclohex-3-enyl]ethyl}propanamide
CID 3555054
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-methylpiperidin-4-yl)methyl)oxalamide
CID 16886517
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-isopropylpiperidin-4-yl)methyl)oxalamide
CID 16886602
N-(1-(5-(Acetylamino)-4-methyl-3-cyclohexen-1-yl)-1-methylethyl)acetamide
CID 375998
N-[1-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]azetidin-3-yl]acetamide
CID 121570421
N'-(3,7-dimethyloct-6-enyl)-N-methyloxamide
CID 59266744
N-[(1R,5S)-5-(2-acetamidopropan-2-yl)-2-methylcyclohex-2-en-1-yl]acetamide
CID 1402266
N-(2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl)acetamide
CID 14993078
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-(2-methylpropyl)ethanediamide
CID 3748694
1-[2-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-butan-2-ylurea
CID 66794703

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide?
The IUPAC name of N'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide (CID 167714471) is N'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide?
The canonical SMILES for N'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide is C=C(C)[C@@H]1CC=C(CNC(=O)C(=O)NC2CCC2)CC1.
What is the InChIKey of N'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide?
The InChIKey is LHCILNPUBFDEMQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)13-8-6-12(7-9-13)10-17-15(19)16(20)18-14-4-3-5-14/h6,13-14H,1,3-5,7-10H2,2H3,(H,17,19)(H,18,20)/t13-/m1/s1.
What are the key properties of N'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide?
N'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide has a molecular weight of 276.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]oxamide is sourced from PubChem (CID 167714471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).