2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide

C16H29N3O2 — CID 60689124

IUPAC2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCCCCN(CCO)CC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C16H29N3O2/c1-3-4-10-19(11-12-20)13-15(21)18(2)16(14-17)8-6-5-7-9-16/h20H,3-13H2,1-2H3
InChIKeyHUPHGAWQRVUTHF-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.77
Rot. Bonds8

About 2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide

2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide (PubChem CID 60689124) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide
PubChem CID60689124
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCCCCN(CCO)CC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C16H29N3O2/c1-3-4-10-19(11-12-20)13-15(21)18(2)16(14-17)8-6-5-7-9-16/h20H,3-13H2,1-2H3
InChIKeyHUPHGAWQRVUTHF-UHFFFAOYSA-N
XLogP1.77
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide (CID 60689124) is 2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide is CCCCN(CCO)CC(=O)N(C)C1(C#N)CCCCC1.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide?
The InChIKey is HUPHGAWQRVUTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-4-10-19(11-12-20)13-15(21)18(2)16(14-17)8-6-5-7-9-16/h20H,3-13H2,1-2H3.
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide?
2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide has a molecular weight of 295.43 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide is sourced from PubChem (CID 60689124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).