3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide

C14H22N2O2 — CID 106179954

IUPAC3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C14H22N2O2/c1-9-6-10(8-11(15)7-9)12(17)16-13(2,3)14(4,5)18/h6-8,18H,15H2,1-5H3,(H,16,17)
InChIKeyIQBDIIHHFYDLSI-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.86
Rot. Bonds3

About 3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide

3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide (PubChem CID 106179954) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
PubChem CID106179954
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
SMILESCc1cc(N)cc(C(=O)NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C14H22N2O2/c1-9-6-10(8-11(15)7-9)12(17)16-13(2,3)14(4,5)18/h6-8,18H,15H2,1-5H3,(H,16,17)
InChIKeyIQBDIIHHFYDLSI-UHFFFAOYSA-N
XLogP1.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.86
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

5-amino-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylbenzamide
CID 106179973
N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119522804
5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
CID 106180016
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methyl-4-nitrobenzamide
CID 103895543
4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347731
3-amino-N-cyclohexyl-5-methylbenzamide
CID 113396098
N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 64558339
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide
CID 103895621
1-(3-amino-5-methylphenyl)propan-1-one
CID 123760774
4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62041965
2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide
CID 103933318
3-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347743

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide?
The IUPAC name of 3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide (CID 106179954) is 3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide.
What is the SMILES notation for 3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide?
The canonical SMILES for 3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide is Cc1cc(N)cc(C(=O)NC(C)(C)C(C)(C)O)c1.
What is the InChIKey of 3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide?
The InChIKey is IQBDIIHHFYDLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-6-10(8-11(15)7-9)12(17)16-13(2,3)14(4,5)18/h6-8,18H,15H2,1-5H3,(H,16,17).
What are the key properties of 3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide?
3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide is sourced from PubChem (CID 106179954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).