3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide

C19H22N2O — CID 166302999

IUPAC3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide
SMILESC=C1CCC(CNC(=O)c2cccc(C3(C#N)CC3)c2)CC1
InChIInChI=1S/C19H22N2O/c1-14-5-7-15(8-6-14)12-21-18(22)16-3-2-4-17(11-16)19(13-20)9-10-19/h2-4,11,15H,1,5-10,12H2,(H,21,22)
InChIKeyOMLIOTRTFBRAMC-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.72
Rot. Bonds4

About 3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide

3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide (PubChem CID 166302999) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide
PubChem CID166302999
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide
SMILESC=C1CCC(CNC(=O)c2cccc(C3(C#N)CC3)c2)CC1
InChIInChI=1S/C19H22N2O/c1-14-5-7-15(8-6-14)12-21-18(22)16-3-2-4-17(11-16)19(13-20)9-10-19/h2-4,11,15H,1,5-10,12H2,(H,21,22)
InChIKeyOMLIOTRTFBRAMC-UHFFFAOYSA-N
XLogP3.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 43298160
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3-bromo-N-(thian-4-ylmethyl)benzamide
CID 115625137
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
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N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 24667103
N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 20596215
N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43298902
N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43371334
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
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CID 110736393

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide?
The IUPAC name of 3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide (CID 166302999) is 3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide?
The canonical SMILES for 3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide is C=C1CCC(CNC(=O)c2cccc(C3(C#N)CC3)c2)CC1.
What is the InChIKey of 3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide?
The InChIKey is OMLIOTRTFBRAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14-5-7-15(8-6-14)12-21-18(22)16-3-2-4-17(11-16)19(13-20)9-10-19/h2-4,11,15H,1,5-10,12H2,(H,21,22).
What are the key properties of 3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide?
3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide has a molecular weight of 294.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyanocyclopropyl)-N-[(4-methylidenecyclohexyl)methyl]benzamide is sourced from PubChem (CID 166302999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).