ethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide

C23H35NO — CID 143175425

IUPACethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide
SMILESC=C/C=C1C(=C/C)\CCC[C@@H]\1N(C)C(=O)c1ccccc1.CC.CC
InChIInChI=1S/C19H23NO.2C2H6/c1-4-10-17-15(5-2)13-9-14-18(17)20(3)19(21)16-11-7-6-8-12-16;2*1-2/h4-8,10-12,18H,1,9,13-14H2,2-3H3;2*1-2H3/b15-5-,17-10+;;/t18-;;/m0../s1
InChIKeyKXPRCPWAJAMCBP-INIVBEGISA-N
MW341.54 g/mol
LogP6.42
Rot. Bonds3

About ethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide

ethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide (PubChem CID 143175425) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is ethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide.

Molecular Properties

Compound Nameethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide
PubChem CID143175425
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC Nameethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide
SMILESC=C/C=C1C(=C/C)\CCC[C@@H]\1N(C)C(=O)c1ccccc1.CC.CC
InChIInChI=1S/C19H23NO.2C2H6/c1-4-10-17-15(5-2)13-9-14-18(17)20(3)19(21)16-11-7-6-8-12-16;2*1-2/h4-8,10-12,18H,1,9,13-14H2,2-3H3;2*1-2H3/b15-5-,17-10+;;/t18-;;/m0../s1
InChIKeyKXPRCPWAJAMCBP-INIVBEGISA-N
XLogP6.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide with MolForge

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Related Compounds

N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide
CID 143175426
N-methyl-N-(2-oxocyclohexyl)benzamide
CID 10977310
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-N-methylbenzamide
CID 144743792
N-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42916495
formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 154911735
4-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30875842
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
N-[(3R,4R)-4-[benzoyl(methyl)amino]-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 100825376
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylbenzamide
CID 18381967

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide?
The IUPAC name of ethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide (CID 143175425) is ethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide.
What is the SMILES notation for ethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide?
The canonical SMILES for ethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide is C=C/C=C1C(=C/C)\CCC[C@@H]\1N(C)C(=O)c1ccccc1.CC.CC.
What is the InChIKey of ethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide?
The InChIKey is KXPRCPWAJAMCBP-INIVBEGISA-N. The full InChI is InChI=1S/C19H23NO.2C2H6/c1-4-10-17-15(5-2)13-9-14-18(17)20(3)19(21)16-11-7-6-8-12-16;2*1-2/h4-8,10-12,18H,1,9,13-14H2,2-3H3;2*1-2H3/b15-5-,17-10+;;/t18-;;/m0../s1.
What are the key properties of ethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide?
ethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide has a molecular weight of 341.54 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1S,2E,3Z)-3-ethylidene-2-prop-2-enylidenecyclohexyl]-N-methylbenzamide is sourced from PubChem (CID 143175425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).