2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride

C20H27ClN2O2 — CID 119328661

IUPAC2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)C(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-20(2,3)16-11-9-14(10-12-16)17(23)13-22-19(24)18(21)15-7-5-4-6-8-15;/h4-12,17-18,23H,13,21H2,1-3H3,(H,22,24);1H
InChIKeyDXBZWDOXYYMKPH-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.26
Rot. Bonds5

About 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride

2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride (PubChem CID 119328661) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride
PubChem CID119328661
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)C(N)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-20(2,3)16-11-9-14(10-12-16)17(23)13-22-19(24)18(21)15-7-5-4-6-8-15;/h4-12,17-18,23H,13,21H2,1-3H3,(H,22,24);1H
InChIKeyDXBZWDOXYYMKPH-UHFFFAOYSA-N
XLogP3.26
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide
CID 119328654
2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
CID 119792652
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119328649
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
CID 111422305
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide
CID 119792655
2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-3-methylbutanoic acid
CID 65224075
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)-2-phenylacetamide
CID 104897542
(2S)-2-amino-N-(2,3-dihydroxypropyl)-2-phenylacetamide
CID 104898061
(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide
CID 104898437
2-amino-N-[2-(4-bromophenyl)-2-methylpropyl]-2-phenylacetamide
CID 119295146
4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119328673

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride (CID 119328661) is 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride is CC(C)(C)c1ccc(C(O)CNC(=O)C(N)c2ccccc2)cc1.Cl.
What is the InChIKey of 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride?
The InChIKey is DXBZWDOXYYMKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-20(2,3)16-11-9-14(10-12-16)17(23)13-22-19(24)18(21)15-7-5-4-6-8-15;/h4-12,17-18,23H,13,21H2,1-3H3,(H,22,24);1H.
What are the key properties of 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride?
2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 119328661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).