N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide

C20H32N2O2 — CID 86942881

IUPACN-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide
SMILESCN(CC1CCCCC1)C(=O)CN(CCO)CCc1ccccc1
InChIInChI=1S/C20H32N2O2/c1-21(16-19-10-6-3-7-11-19)20(24)17-22(14-15-23)13-12-18-8-4-2-5-9-18/h2,4-5,8-9,19,23H,3,6-7,10-17H2,1H3
InChIKeyCSAJEDUANWYCRB-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.56
Rot. Bonds9

About N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide

N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide (PubChem CID 86942881) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide
PubChem CID86942881
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide
SMILESCN(CC1CCCCC1)C(=O)CN(CCO)CCc1ccccc1
InChIInChI=1S/C20H32N2O2/c1-21(16-19-10-6-3-7-11-19)20(24)17-22(14-15-23)13-12-18-8-4-2-5-9-18/h2,4-5,8-9,19,23H,3,6-7,10-17H2,1H3
InChIKeyCSAJEDUANWYCRB-UHFFFAOYSA-N
XLogP2.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride
CID 120872403
N-[(4-bromothiophen-2-yl)methyl]-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide
CID 86942956
2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride
CID 119704430
4-[3-[cyclopentylmethyl(methyl)amino]-3-oxopropyl]benzoic acid
CID 119183051
1-(3,5-dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(2-phenylethyl)amino]ethanone
CID 111121802
1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one
CID 61446057
3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
CID 60963492
2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride
CID 120871839
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786
N-(2-hydroxyethyl)-2-(3-methylcyclohexyl)-N-(2-phenylethyl)acetamide
CID 86943443
4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide
CID 63324123
N-methyl-N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62674551

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide (CID 86942881) is N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide is CN(CC1CCCCC1)C(=O)CN(CCO)CCc1ccccc1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide?
The InChIKey is CSAJEDUANWYCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-21(16-19-10-6-3-7-11-19)20(24)17-22(14-15-23)13-12-18-8-4-2-5-9-18/h2,4-5,8-9,19,23H,3,6-7,10-17H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide?
N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide has a molecular weight of 332.49 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide is sourced from PubChem (CID 86942881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).