N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride

C20H27ClN2O2 — CID 120886275

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
SMILESCC(OCc1ccccc1)C(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-17(24-16-19-10-6-3-7-11-19)20(23)22(15-13-21)14-12-18-8-4-2-5-9-18;/h2-11,17H,12-16,21H2,1H3;1H
InChIKeyJSOQSQQPSKGMIS-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.04
Rot. Bonds9

About N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride

N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride (PubChem CID 120886275) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
PubChem CID120886275
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
SMILESCC(OCc1ccccc1)C(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-17(24-16-19-10-6-3-7-11-19)20(23)22(15-13-21)14-12-18-8-4-2-5-9-18;/h2-11,17H,12-16,21H2,1H3;1H
InChIKeyJSOQSQQPSKGMIS-UHFFFAOYSA-N
XLogP3.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120885669
N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide
CID 120886600
N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 120885093
N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886149
N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120885187
N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide
CID 120886396
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide
CID 120885216
N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide
CID 120886222
N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886147

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride (CID 120886275) is N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride is CC(OCc1ccccc1)C(=O)N(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride?
The InChIKey is JSOQSQQPSKGMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-17(24-16-19-10-6-3-7-11-19)20(23)22(15-13-21)14-12-18-8-4-2-5-9-18;/h2-11,17H,12-16,21H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride?
N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride is sourced from PubChem (CID 120886275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).