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

C15H25ClN2O2 — CID 119328649

IUPAC3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)CCN)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-15(2,3)12-6-4-11(5-7-12)13(18)10-17-14(19)8-9-16;/h4-7,13,18H,8-10,16H2,1-3H3,(H,17,19);1H
InChIKeyYJXBFUYHHPPWRE-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.90
Rot. Bonds5

About 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride

3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride (PubChem CID 119328649) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride
PubChem CID119328649
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)CCN)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-15(2,3)12-6-4-11(5-7-12)13(18)10-17-14(19)8-9-16;/h4-7,13,18H,8-10,16H2,1-3H3,(H,17,19);1H
InChIKeyYJXBFUYHHPPWRE-UHFFFAOYSA-N
XLogP1.90
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119328673
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide
CID 119792655
N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide
CID 97227838
2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride
CID 119328661
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
CID 111422305
1-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119792619
4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119293246
(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
(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
CID 39352535
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide
CID 119792647

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride (CID 119328649) is 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride is CC(C)(C)c1ccc(C(O)CNC(=O)CCN)cc1.Cl.
What is the InChIKey of 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride?
The InChIKey is YJXBFUYHHPPWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-15(2,3)12-6-4-11(5-7-12)13(18)10-17-14(19)8-9-16;/h4-7,13,18H,8-10,16H2,1-3H3,(H,17,19);1H.
What are the key properties of 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride?
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride is sourced from PubChem (CID 119328649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).