N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride

C21H29ClN2O2 — CID 119525446

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride
SMILESCCOC(C(=O)NCC(N)c1ccc(C(C)C)cc1)c1ccccc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-4-25-20(18-8-6-5-7-9-18)21(24)23-14-19(22)17-12-10-16(11-13-17)15(2)3;/h5-13,15,19-20H,4,14,22H2,1-3H3,(H,23,24);1H
InChIKeyRPSVPSBUYRDZQR-UHFFFAOYSA-N
MW376.93 g/mol
LogP4.13
Rot. Bonds8

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride (PubChem CID 119525446) 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]-2-ethoxy-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride
PubChem CID119525446
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride
SMILESCCOC(C(=O)NCC(N)c1ccc(C(C)C)cc1)c1ccccc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-4-25-20(18-8-6-5-7-9-18)21(24)23-14-19(22)17-12-10-16(11-13-17)15(2)3;/h5-13,15,19-20H,4,14,22H2,1-3H3,(H,23,24);1H
InChIKeyRPSVPSBUYRDZQR-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-[2-(methylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 119500210
2-ethoxy-N-[2-(ethylamino)ethyl]-2-phenylacetamide
CID 119504919
2-amino-N-(2,2-diethoxyethyl)-2-phenylacetamide
CID 13390917
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740
N-(2-amino-2-phenylethyl)-2-propan-2-yloxyacetamide;hydrochloride
CID 119529017
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
3-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-phenylpropanamide
CID 119526217
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 119526633
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530
N-[1-[(2-amino-2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 119528058
butan-2-yl 2-ethoxy-2-phenylacetate
CID 118039785

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride (CID 119525446) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride is CCOC(C(=O)NCC(N)c1ccc(C(C)C)cc1)c1ccccc1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride?
The InChIKey is RPSVPSBUYRDZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c1-4-25-20(18-8-6-5-7-9-18)21(24)23-14-19(22)17-12-10-16(11-13-17)15(2)3;/h5-13,15,19-20H,4,14,22H2,1-3H3,(H,23,24);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 4.13, 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]-2-ethoxy-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119525446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).