2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride

C20H32ClN3O — CID 120871839

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)CC(=O)N(C1CCCC1)C1CC1
InChIInChI=1S/C20H31N3O.ClH/c21-13-15-22(14-12-17-6-2-1-3-7-17)16-20(24)23(19-10-11-19)18-8-4-5-9-18;/h1-3,6-7,18-19H,4-5,8-16,21H2;1H
InChIKeyXTXYPTIFHBZIAC-UHFFFAOYSA-N
MW365.95 g/mol
LogP2.85
Rot. Bonds9

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride

2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride (PubChem CID 120871839) has the molecular formula C20H32ClN3O and a molecular weight of 365.95 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride
PubChem CID120871839
Molecular FormulaC20H32ClN3O
Molecular Weight365.95 g/mol
Exact Mass365.22
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)CC(=O)N(C1CCCC1)C1CC1
InChIInChI=1S/C20H31N3O.ClH/c21-13-15-22(14-12-17-6-2-1-3-7-17)16-20(24)23(19-10-11-19)18-8-4-5-9-18;/h1-3,6-7,18-19H,4-5,8-16,21H2;1H
InChIKeyXTXYPTIFHBZIAC-UHFFFAOYSA-N
XLogP2.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 52.85
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
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'-(cyclobutylmethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120872591
2-[2-aminoethyl(2-phenylethyl)amino]-N-(dicyclopropylmethyl)acetamide;hydrochloride
CID 120871709
2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 120872121
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
CID 120886157
2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide
CID 120872328
N-(2-aminoethyl)-2-cyclohexyl-N-(2-phenylethyl)acetamide
CID 120886160
N-cyclopentyl-N-cyclopropyl-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 111544046
N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide
CID 102873861
2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 120872205

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride (CID 120871839) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride is Cl.NCCN(CCc1ccccc1)CC(=O)N(C1CCCC1)C1CC1.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride?
The InChIKey is XTXYPTIFHBZIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O.ClH/c21-13-15-22(14-12-17-6-2-1-3-7-17)16-20(24)23(19-10-11-19)18-8-4-5-9-18;/h1-3,6-7,18-19H,4-5,8-16,21H2;1H.
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride?
2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride has a molecular weight of 365.95 g/mol, XLogP of 2.85, 9 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-cyclopentyl-N-cyclopropylacetamide;hydrochloride is sourced from PubChem (CID 120871839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).