2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride

C17H29ClN2O3 — CID 119792716

IUPAC2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCC(O)c1ccc(OC(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O3.ClH/c1-5-10-17(4,18)16(21)19-11-15(20)13-6-8-14(9-7-13)22-12(2)3;/h6-9,12,15,20H,5,10-11,18H2,1-4H3,(H,19,21);1H
InChIKeyNOCJKRJDRLEKNN-UHFFFAOYSA-N
MW344.88 g/mol
LogP2.56
Rot. Bonds8

About 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride

2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride (PubChem CID 119792716) has the molecular formula C17H29ClN2O3 and a molecular weight of 344.88 g/mol. Its IUPAC name is 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
PubChem CID119792716
Molecular FormulaC17H29ClN2O3
Molecular Weight344.88 g/mol
Exact Mass344.19
IUPAC Name2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCC(O)c1ccc(OC(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O3.ClH/c1-5-10-17(4,18)16(21)19-11-15(20)13-6-8-14(9-7-13)22-12(2)3;/h6-9,12,15,20H,5,10-11,18H2,1-4H3,(H,19,21);1H
InChIKeyNOCJKRJDRLEKNN-UHFFFAOYSA-N
XLogP2.56
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.88
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide
CID 119792571
2-amino-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 60847702
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681
(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119328695
2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 116557003
2-amino-2-methyl-N-[2-(3-methylphenoxy)propyl]pentanamide;hydrochloride
CID 119804957
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylpentanamide
CID 119757908
2-amino-N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpentanamide;hydrochloride
CID 119822525
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450791
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide
CID 111437274
5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride
CID 120634228

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride (CID 119792716) is 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NCC(O)c1ccc(OC(C)C)cc1.Cl.
What is the InChIKey of 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride?
The InChIKey is NOCJKRJDRLEKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3.ClH/c1-5-10-17(4,18)16(21)19-11-15(20)13-6-8-14(9-7-13)22-12(2)3;/h6-9,12,15,20H,5,10-11,18H2,1-4H3,(H,19,21);1H.
What are the key properties of 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride has a molecular weight of 344.88 g/mol, XLogP of 2.56, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119792716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).