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

C19H31ClN4O2 — CID 120872417

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)CC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H30N4O2.ClH/c20-12-14-23(13-11-16-7-3-1-4-8-16)15-18(24)22-19(25)21-17-9-5-2-6-10-17;/h1,3-4,7-8,17H,2,5-6,9-15,20H2,(H2,21,22,24,25);1H
InChIKeyJQEHFEQXWFLFDY-UHFFFAOYSA-N
MW382.94 g/mol
LogP2.07
Rot. Bonds8

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

2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride (PubChem CID 120872417) has the molecular formula C19H31ClN4O2 and a molecular weight of 382.94 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
PubChem CID120872417
Molecular FormulaC19H31ClN4O2
Molecular Weight382.94 g/mol
Exact Mass382.21
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)CC(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C19H30N4O2.ClH/c20-12-14-23(13-11-16-7-3-1-4-8-16)15-18(24)22-19(25)21-17-9-5-2-6-10-17;/h1,3-4,7-8,17H,2,5-6,9-15,20H2,(H2,21,22,24,25);1H
InChIKeyJQEHFEQXWFLFDY-UHFFFAOYSA-N
XLogP2.07
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 52.07
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-(oxan-4-yl)acetamide
CID 120872328
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
CID 120872551
2-[2-aminoethyl(2-phenylethyl)amino]-N-(dicyclopropylmethyl)acetamide;hydrochloride
CID 120871709
2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclohexyl-N-methylacetamide;hydrochloride
CID 120872403
2-[2-aminoethyl(2-phenylethyl)amino]-N-cyclopentyl-N-cyclopropylacetamide;hydrochloride
CID 120871839
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 120871931
N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151851
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
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride (CID 120872417) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride is Cl.NCCN(CCc1ccccc1)CC(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride?
The InChIKey is JQEHFEQXWFLFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.ClH/c20-12-14-23(13-11-16-7-3-1-4-8-16)15-18(24)22-19(25)21-17-9-5-2-6-10-17;/h1,3-4,7-8,17H,2,5-6,9-15,20H2,(H2,21,22,24,25);1H.
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride?
2-[2-aminoethyl(2-phenylethyl)amino]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride has a molecular weight of 382.94 g/mol, XLogP of 2.07, 8 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-(cyclohexylcarbamoyl)acetamide;hydrochloride is sourced from PubChem (CID 120872417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).