2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride

C17H29ClN4O2 — CID 120872551

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
SMILESCC(C)CNC(=O)NC(=O)CN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C17H28N4O2.ClH/c1-14(2)12-19-17(23)20-16(22)13-21(11-9-18)10-8-15-6-4-3-5-7-15;/h3-7,14H,8-13,18H2,1-2H3,(H2,19,20,22,23);1H
InChIKeyPHSKZJAUTQIGGZ-UHFFFAOYSA-N
MW356.90 g/mol
LogP1.39
Rot. Bonds9

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride

2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride (PubChem CID 120872551) has the molecular formula C17H29ClN4O2 and a molecular weight of 356.90 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
PubChem CID120872551
Molecular FormulaC17H29ClN4O2
Molecular Weight356.90 g/mol
Exact Mass356.20
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
SMILESCC(C)CNC(=O)NC(=O)CN(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C17H28N4O2.ClH/c1-14(2)12-19-17(23)20-16(22)13-21(11-9-18)10-8-15-6-4-3-5-7-15;/h3-7,14H,8-13,18H2,1-2H3,(H2,19,20,22,23);1H
InChIKeyPHSKZJAUTQIGGZ-UHFFFAOYSA-N
XLogP1.39
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 120872121
2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
CID 120872417
2-[2-aminoethyl(2-phenylethyl)amino]-N-tert-butylacetamide
CID 120872102
3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide
CID 120872156
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)acetamide;hydrochloride
CID 120872387
2-[2-aminoethyl(2-phenylethyl)amino]-N-(dicyclopropylmethyl)acetamide;hydrochloride
CID 120871709
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 120872237
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3-methylphenyl)methyl]acetamide
CID 120872033
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride
CID 120872603
2-[2-aminoethyl(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 120871653
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 120871931
2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride
CID 120871888

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride (CID 120872551) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride is CC(C)CNC(=O)NC(=O)CN(CCN)CCc1ccccc1.Cl.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride?
The InChIKey is PHSKZJAUTQIGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.ClH/c1-14(2)12-19-17(23)20-16(22)13-21(11-9-18)10-8-15-6-4-3-5-7-15;/h3-7,14H,8-13,18H2,1-2H3,(H2,19,20,22,23);1H.
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride?
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride has a molecular weight of 356.90 g/mol, XLogP of 1.39, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride is sourced from PubChem (CID 120872551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).