N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride

C20H27ClN2O — CID 120885187

IUPACN-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCc1cccc(C(C)C(=O)N(CCN)CCc2ccccc2)c1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-16-7-6-10-19(15-16)17(2)20(23)22(14-12-21)13-11-18-8-4-3-5-9-18;/h3-10,15,17H,11-14,21H2,1-2H3;1H
InChIKeyKHBZUSACOBNSEV-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.55
Rot. Bonds7

About N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride

N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride (PubChem CID 120885187) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
PubChem CID120885187
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC NameN-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCc1cccc(C(C)C(=O)N(CCN)CCc2ccccc2)c1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-16-7-6-10-19(15-16)17(2)20(23)22(14-12-21)13-11-18-8-4-3-5-9-18;/h3-10,15,17H,11-14,21H2,1-2H3;1H
InChIKeyKHBZUSACOBNSEV-UHFFFAOYSA-N
XLogP3.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120885669
2-(3-fluorophenyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)propanamide
CID 111477587
N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
CID 120886275
N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 120885093
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886149
N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide
CID 120886396
N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide
CID 120886600
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride
CID 120886647

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride (CID 120885187) is N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride is Cc1cccc(C(C)C(=O)N(CCN)CCc2ccccc2)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride?
The InChIKey is KHBZUSACOBNSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-16-7-6-10-19(15-16)17(2)20(23)22(14-12-21)13-11-18-8-4-3-5-9-18;/h3-10,15,17H,11-14,21H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride?
N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120885187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).