5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide

C18H22N2O2 — CID 120636797

IUPAC5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC(C)CC(O)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-12-8-9-15(19)11-16(12)18(22)20-13(2)10-17(21)14-6-4-3-5-7-14/h3-9,11,13,17,21H,10,19H2,1-2H3,(H,20,22)
InChIKeyCZHBZHLFFZVIRV-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.82
Rot. Bonds5

About 5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide

5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide (PubChem CID 120636797) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide
PubChem CID120636797
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NC(C)CC(O)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-12-8-9-15(19)11-16(12)18(22)20-13(2)10-17(21)14-6-4-3-5-7-14/h3-9,11,13,17,21H,10,19H2,1-2H3,(H,20,22)
InChIKeyCZHBZHLFFZVIRV-UHFFFAOYSA-N
XLogP2.82
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-4-methylthiophene-3-carboxamide
CID 97228127
5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride
CID 120639082
5-amino-2-methyl-N-(1-naphthalen-1-ylpropan-2-yl)benzamide
CID 68562260
5-amino-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 61290779
5-amino-N-[1-(2-bromophenyl)ethyl]-2-methylbenzamide
CID 61291745
4-acetyl-N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]thiophene-2-carboxamide
CID 97228132
5-amino-2-chloro-N-(4-methylpentan-2-yl)benzamide
CID 43371733
5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 107863882
5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride
CID 120638250
N-[(2R,4R)-4-hydroxy-4-phenylbutan-2-yl]-1H-indole-7-carboxamide
CID 97228097
3-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbutanamide;hydrochloride
CID 120501802
5-amino-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide;dihydrochloride
CID 120642682

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide?
The IUPAC name of 5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide (CID 120636797) is 5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NC(C)CC(O)c1ccccc1.
What is the InChIKey of 5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide?
The InChIKey is CZHBZHLFFZVIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-8-9-15(19)11-16(12)18(22)20-13(2)10-17(21)14-6-4-3-5-7-14/h3-9,11,13,17,21H,10,19H2,1-2H3,(H,20,22).
What are the key properties of 5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide?
5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-methylbenzamide is sourced from PubChem (CID 120636797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).