N-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide

C19H27N3O2 — CID 18094806

IUPACN-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
SMILESCc1cccc(OCCN(C)CC(=O)NC2(C#N)CCCCC2)c1
InChIInChI=1S/C19H27N3O2/c1-16-7-6-8-17(13-16)24-12-11-22(2)14-18(23)21-19(15-20)9-4-3-5-10-19/h6-8,13H,3-5,9-12,14H2,1-2H3,(H,21,23)
InChIKeySTYZYQPDABKCJI-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.65
Rot. Bonds7

About N-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide

N-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide (PubChem CID 18094806) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
PubChem CID18094806
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
SMILESCc1cccc(OCCN(C)CC(=O)NC2(C#N)CCCCC2)c1
InChIInChI=1S/C19H27N3O2/c1-16-7-6-8-17(13-16)24-12-11-22(2)14-18(23)21-19(15-20)9-4-3-5-10-19/h6-8,13H,3-5,9-12,14H2,1-2H3,(H,21,23)
InChIKeySTYZYQPDABKCJI-UHFFFAOYSA-N
XLogP2.65
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide (CID 18094806) is N-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide is Cc1cccc(OCCN(C)CC(=O)NC2(C#N)CCCCC2)c1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide?
The InChIKey is STYZYQPDABKCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-16-7-6-8-17(13-16)24-12-11-22(2)14-18(23)21-19(15-20)9-4-3-5-10-19/h6-8,13H,3-5,9-12,14H2,1-2H3,(H,21,23).
What are the key properties of N-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide?
N-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide has a molecular weight of 329.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide is sourced from PubChem (CID 18094806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).