N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride

C21H29ClN2O2 — CID 119526922

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1cccc(CCC(=O)NCC(N)c2ccc(C(C)C)cc2)c1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-15(2)17-8-10-18(11-9-17)20(22)14-23-21(24)12-7-16-5-4-6-19(13-16)25-3;/h4-6,8-11,13,15,20H,7,12,14,22H2,1-3H3,(H,23,24);1H
InChIKeyJCDYYGSDHLPJML-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.99
Rot. Bonds8

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride (PubChem CID 119526922) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride
PubChem CID119526922
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1cccc(CCC(=O)NCC(N)c2ccc(C(C)C)cc2)c1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-15(2)17-8-10-18(11-9-17)20(22)14-23-21(24)12-7-16-5-4-6-19(13-16)25-3;/h4-6,8-11,13,15,20H,7,12,14,22H2,1-3H3,(H,23,24);1H
InChIKeyJCDYYGSDHLPJML-UHFFFAOYSA-N
XLogP3.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 43035256
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(4-fluorophenyl)propanamide;hydrochloride
CID 119525264
N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)propanamide
CID 111102377
3-(3-methoxyphenyl)-N-(3-propan-2-ylphenyl)propanamide
CID 36568159
N-(2-cyclopropyl-2-hydroxyethyl)-3-(3-methoxyphenyl)propanamide
CID 63294459
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methoxypentanamide;hydrochloride
CID 119526500
3-amino-N-[2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119949515
N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 99815527
3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 111115447
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 90623282
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride (CID 119526922) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride is COc1cccc(CCC(=O)NCC(N)c2ccc(C(C)C)cc2)c1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is JCDYYGSDHLPJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c1-15(2)17-8-10-18(11-9-17)20(22)14-23-21(24)12-7-16-5-4-6-19(13-16)25-3;/h4-6,8-11,13,15,20H,7,12,14,22H2,1-3H3,(H,23,24);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(3-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119526922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).