N-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide

C20H29N3O — CID 55648838

IUPACN-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide
SMILESCCN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1C
InChIInChI=1S/C20H29N3O/c1-4-23(14-18-11-7-6-10-17(18)2)15-19(24)22(3)20(16-21)12-8-5-9-13-20/h6-7,10-11H,4-5,8-9,12-15H2,1-3H3
InChIKeyXZYBZDBXPWMEDB-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.50
Rot. Bonds6

About N-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide

N-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide (PubChem CID 55648838) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide
PubChem CID55648838
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC NameN-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide
SMILESCCN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1C
InChIInChI=1S/C20H29N3O/c1-4-23(14-18-11-7-6-10-17(18)2)15-19(24)22(3)20(16-21)12-8-5-9-13-20/h6-7,10-11H,4-5,8-9,12-15H2,1-3H3
InChIKeyXZYBZDBXPWMEDB-UHFFFAOYSA-N
XLogP3.50
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide (CID 55648838) is N-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide is CCN(CC(=O)N(C)C1(C#N)CCCCC1)Cc1ccccc1C.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide?
The InChIKey is XZYBZDBXPWMEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-4-23(14-18-11-7-6-10-17(18)2)15-19(24)22(3)20(16-21)12-8-5-9-13-20/h6-7,10-11H,4-5,8-9,12-15H2,1-3H3.
What are the key properties of N-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide?
N-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide has a molecular weight of 327.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide is sourced from PubChem (CID 55648838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).