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

C14H23ClN2O3 — CID 119328695

IUPAC(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
SMILESCC(C)Oc1ccc(C(O)CNC(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-9(2)19-12-6-4-11(5-7-12)13(17)8-16-14(18)10(3)15;/h4-7,9-10,13,17H,8,15H2,1-3H3,(H,16,18);1H/t10-,13?;/m1./s1
InChIKeyKLILOBYRESADQY-HXOUFFEYSA-N
MW302.80 g/mol
LogP1.39
Rot. Bonds6

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

(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride (PubChem CID 119328695) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
PubChem CID119328695
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
SMILESCC(C)Oc1ccc(C(O)CNC(=O)[C@@H](C)N)cc1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-9(2)19-12-6-4-11(5-7-12)13(17)8-16-14(18)10(3)15;/h4-7,9-10,13,17H,8,15H2,1-3H3,(H,16,18);1H/t10-,13?;/m1./s1
InChIKeyKLILOBYRESADQY-HXOUFFEYSA-N
XLogP1.39
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681
(2R)-2-amino-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119293211
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide
CID 139000342
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-thiophen-2-ylpropanamide
CID 111437274
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119792716
3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 120610983
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
2-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 43699540
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450791
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 (2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride (CID 119328695) is (2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride is CC(C)Oc1ccc(C(O)CNC(=O)[C@@H](C)N)cc1.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is KLILOBYRESADQY-HXOUFFEYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-9(2)19-12-6-4-11(5-7-12)13(17)8-16-14(18)10(3)15;/h4-7,9-10,13,17H,8,15H2,1-3H3,(H,16,18);1H/t10-,13?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119328695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).