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

C19H25ClN2O3 — CID 120634228

IUPAC5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC(O)c1ccc(OC(C)C)cc1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-12(2)24-16-8-5-14(6-9-16)18(22)11-21-19(23)17-10-15(20)7-4-13(17)3;/h4-10,12,18,22H,11,20H2,1-3H3,(H,21,23);1H
InChIKeyCTOMJNPDPVLQGH-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.25
Rot. Bonds6

About 5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride

5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride (PubChem CID 120634228) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride
PubChem CID120634228
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC(O)c1ccc(OC(C)C)cc1.Cl
InChIInChI=1S/C19H24N2O3.ClH/c1-12(2)24-16-8-5-14(6-9-16)18(22)11-21-19(23)17-10-15(20)7-4-13(17)3;/h4-10,12,18,22H,11,20H2,1-3H3,(H,21,23);1H
InChIKeyCTOMJNPDPVLQGH-UHFFFAOYSA-N
XLogP3.25
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide
CID 120632622
5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride
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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
5-amino-2-methyl-N-[2-(2-methylphenoxy)propyl]benzamide
CID 120636277
5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride
CID 120639082
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
CID 43461466
5-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)benzamide
CID 120625790
5-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methylbenzamide;dihydrochloride
CID 120639768
1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 111422863
2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 111422677
5-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-2-methylbenzamide;hydrochloride
CID 120635163

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride (CID 120634228) is 5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NCC(O)c1ccc(OC(C)C)cc1.Cl.
What is the InChIKey of 5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride?
The InChIKey is CTOMJNPDPVLQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3.ClH/c1-12(2)24-16-8-5-14(6-9-16)18(22)11-21-19(23)17-10-15(20)7-4-13(17)3;/h4-10,12,18,22H,11,20H2,1-3H3,(H,21,23);1H.
What are the key properties of 5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride?
5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride has a molecular weight of 364.87 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120634228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).