2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride

C16H28ClN3O — CID 120871888

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride
SMILESCCN(CC)C(=O)CN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C16H27N3O.ClH/c1-3-19(4-2)16(20)14-18(13-11-17)12-10-15-8-6-5-7-9-15;/h5-9H,3-4,10-14,17H2,1-2H3;1H
InChIKeySAEOBCWIGCJOCQ-UHFFFAOYSA-N
MW313.87 g/mol
LogP1.78
Rot. Bonds9

About 2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride

2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride (PubChem CID 120871888) has the molecular formula C16H28ClN3O and a molecular weight of 313.87 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride
PubChem CID120871888
Molecular FormulaC16H28ClN3O
Molecular Weight313.87 g/mol
Exact Mass313.19
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride
SMILESCCN(CC)C(=O)CN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C16H27N3O.ClH/c1-3-19(4-2)16(20)14-18(13-11-17)12-10-15-8-6-5-7-9-15;/h5-9H,3-4,10-14,17H2,1-2H3;1H
InChIKeySAEOBCWIGCJOCQ-UHFFFAOYSA-N
XLogP1.78
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 106511560
2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride
CID 120871839
2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride
CID 120872403
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N'-(2-ethylsulfonylethyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120871608
2-bromo-N-ethyl-N-(2-phenylethyl)acetamide
CID 15342542
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102
N-benzyl-2-(dipropylamino)-N-ethylacetamide
CID 108998990
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
CID 120871807
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 120871808

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride (CID 120871888) is 2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride is CCN(CC)C(=O)CN(CCN)CCc1ccccc1.Cl.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride?
The InChIKey is SAEOBCWIGCJOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O.ClH/c1-3-19(4-2)16(20)14-18(13-11-17)12-10-15-8-6-5-7-9-15;/h5-9H,3-4,10-14,17H2,1-2H3;1H.
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride?
2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride has a molecular weight of 313.87 g/mol, XLogP of 1.78, 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,N-diethylacetamide;hydrochloride is sourced from PubChem (CID 120871888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).