4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride

C13H21ClN2O3 — CID 119293246

IUPAC4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride
SMILESCOc1ccc(C(O)CNC(=O)CCCN)cc1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-18-11-6-4-10(5-7-11)12(16)9-15-13(17)3-2-8-14;/h4-7,12,16H,2-3,8-9,14H2,1H3,(H,15,17);1H
InChIKeyGJPNPBJFKRMQDM-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.01
Rot. Bonds7

About 4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride

4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride (PubChem CID 119293246) has the molecular formula C13H21ClN2O3 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride
PubChem CID119293246
Molecular FormulaC13H21ClN2O3
Molecular Weight288.78 g/mol
Exact Mass288.12
IUPAC Name4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride
SMILESCOc1ccc(C(O)CNC(=O)CCCN)cc1.Cl
InChIInChI=1S/C13H20N2O3.ClH/c1-18-11-6-4-10(5-7-11)12(16)9-15-13(17)3-2-8-14;/h4-7,12,16H,2-3,8-9,14H2,1H3,(H,15,17);1H
InChIKeyGJPNPBJFKRMQDM-UHFFFAOYSA-N
XLogP1.01
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide
CID 119730561
4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119328673
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
CID 119829586
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide
CID 109380164
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119328649
3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 110889436
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681
1-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293242
3-amino-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43500072

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride (CID 119293246) is 4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride is COc1ccc(C(O)CNC(=O)CCCN)cc1.Cl.
What is the InChIKey of 4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride?
The InChIKey is GJPNPBJFKRMQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3.ClH/c1-18-11-6-4-10(5-7-11)12(16)9-15-13(17)3-2-8-14;/h4-7,12,16H,2-3,8-9,14H2,1H3,(H,15,17);1H.
What are the key properties of 4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride?
4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119293246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).