2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride

C19H32ClN3O — CID 120872403

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CN(CCN)CCc1ccccc1)C1CCCCC1.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-21(18-10-6-3-7-11-18)19(23)16-22(15-13-20)14-12-17-8-4-2-5-9-17;/h2,4-5,8-9,18H,3,6-7,10-16,20H2,1H3;1H
InChIKeyQZERDKRKWDDPKY-UHFFFAOYSA-N
MW353.94 g/mol
LogP2.70
Rot. Bonds8

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride

2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride (PubChem CID 120872403) has the molecular formula C19H32ClN3O and a molecular weight of 353.94 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride
PubChem CID120872403
Molecular FormulaC19H32ClN3O
Molecular Weight353.94 g/mol
Exact Mass353.22
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride
SMILESCN(C(=O)CN(CCN)CCc1ccccc1)C1CCCCC1.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-21(18-10-6-3-7-11-18)19(23)16-22(15-13-20)14-12-17-8-4-2-5-9-17;/h2,4-5,8-9,18H,3,6-7,10-16,20H2,1H3;1H
InChIKeyQZERDKRKWDDPKY-UHFFFAOYSA-N
XLogP2.70
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.94
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride
CID 120871839
2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride
CID 120871888
2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
CID 120872417
N-(cyclohexylmethyl)-2-[2-hydroxyethyl(2-phenylethyl)amino]-N-methylacetamide
CID 86942881
N'-(cyclobutylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120872591
2-[2-aminoethyl(2-phenylethyl)amino]-N-(dicyclopropylmethyl)acetamide;hydrochloride
CID 120871709
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 120872121
N-(2-aminoethyl)-2-cyclohexyl-N-(2-phenylethyl)acetamide
CID 120886160
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
CID 120871807
N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 47128707
3-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methylpropanamide
CID 54873292

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride (CID 120872403) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride is CN(C(=O)CN(CCN)CCc1ccccc1)C1CCCCC1.Cl.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride?
The InChIKey is QZERDKRKWDDPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.ClH/c1-21(18-10-6-3-7-11-18)19(23)16-22(15-13-20)14-12-17-8-4-2-5-9-17;/h2,4-5,8-9,18H,3,6-7,10-16,20H2,1H3;1H.
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride?
2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride has a molecular weight of 353.94 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride is sourced from PubChem (CID 120872403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).