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

C14H23ClN2O2 — CID 120886289

IUPACN-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCOCCC(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-18-12-8-14(17)16(11-9-15)10-7-13-5-3-2-4-6-13;/h2-6H,7-12,15H2,1H3;1H
InChIKeyPZWKCCNVCCNFHF-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.47
Rot. Bonds8

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

N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride (PubChem CID 120886289) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
PubChem CID120886289
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
SMILESCOCCC(=O)N(CCN)CCc1ccccc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-18-12-8-14(17)16(11-9-15)10-7-13-5-3-2-4-6-13;/h2-6H,7-12,15H2,1H3;1H
InChIKeyPZWKCCNVCCNFHF-UHFFFAOYSA-N
XLogP1.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
N-(2-aminoethyl)-4,4-dimethyl-N-(2-phenylethyl)pentanamide
CID 120886564
N-(2-aminoethyl)-3-(4-methylsulfonylphenoxy)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120885953
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 120886021
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
N-(2-aminoethyl)-3-(2-nitrophenoxy)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886449
N-(2-aminoethyl)-2-(4-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120887035
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120884990

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride (CID 120886289) is N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride is COCCC(=O)N(CCN)CCc1ccccc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride?
The InChIKey is PZWKCCNVCCNFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-18-12-8-14(17)16(11-9-15)10-7-13-5-3-2-4-6-13;/h2-6H,7-12,15H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride?
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride is sourced from PubChem (CID 120886289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).