2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide

C12H18N2O2 — CID 65036645

IUPAC2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCC(C)CO)c1
InChIInChI=1S/C12H18N2O2/c1-8-3-4-11(13)10(5-8)12(16)14-6-9(2)7-15/h3-5,9,15H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyLSGQDIZEHOEZEB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.94
Rot. Bonds4

About 2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide

2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide (PubChem CID 65036645) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide
PubChem CID65036645
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCC(C)CO)c1
InChIInChI=1S/C12H18N2O2/c1-8-3-4-11(13)10(5-8)12(16)14-6-9(2)7-15/h3-5,9,15H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyLSGQDIZEHOEZEB-UHFFFAOYSA-N
XLogP0.94
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.94
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

2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide
CID 113491855
2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide
CID 62508707
2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031850
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 107211525
N-(3-bromo-2-methylpropyl)-2-hydroxy-5-methylbenzamide
CID 114313317
2-amino-5-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66091263
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 106434384
2-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-5-methylbenzamide
CID 106274732
4-[(2-bromo-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 81110667
4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107836086
2-amino-5-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 62508898

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide?
The IUPAC name of 2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide (CID 65036645) is 2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide?
The canonical SMILES for 2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide is Cc1ccc(N)c(C(=O)NCC(C)CO)c1.
What is the InChIKey of 2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide?
The InChIKey is LSGQDIZEHOEZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-3-4-11(13)10(5-8)12(16)14-6-9(2)7-15/h3-5,9,15H,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide?
2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide is sourced from PubChem (CID 65036645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).