N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide

C19H27N3O — CID 52689443

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide
SMILESCc1cc(C)cc(N(C)CC(=O)N(C)C2(C#N)CCCCC2)c1
InChIInChI=1S/C19H27N3O/c1-15-10-16(2)12-17(11-15)21(3)13-18(23)22(4)19(14-20)8-6-5-7-9-19/h10-12H,5-9,13H2,1-4H3
InChIKeyARPNHQJBFRLPKP-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.42
Rot. Bonds4

About N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide

N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide (PubChem CID 52689443) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide
PubChem CID52689443
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide
SMILESCc1cc(C)cc(N(C)CC(=O)N(C)C2(C#N)CCCCC2)c1
InChIInChI=1S/C19H27N3O/c1-15-10-16(2)12-17(11-15)21(3)13-18(23)22(4)19(14-20)8-6-5-7-9-19/h10-12H,5-9,13H2,1-4H3
InChIKeyARPNHQJBFRLPKP-UHFFFAOYSA-N
XLogP3.42
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide (CID 52689443) is N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide is Cc1cc(C)cc(N(C)CC(=O)N(C)C2(C#N)CCCCC2)c1.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide?
The InChIKey is ARPNHQJBFRLPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-15-10-16(2)12-17(11-15)21(3)13-18(23)22(4)19(14-20)8-6-5-7-9-19/h10-12H,5-9,13H2,1-4H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide has a molecular weight of 313.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide is sourced from PubChem (CID 52689443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).