3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide

C12H18N2O2 — CID 64549288

IUPAC3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCCC(C)(CO)NC(=O)c1cccc(N)c1
InChIInChI=1S/C12H18N2O2/c1-3-12(2,8-15)14-11(16)9-5-4-6-10(13)7-9/h4-7,15H,3,8,13H2,1-2H3,(H,14,16)
InChIKeyVEWUEJVLNPTWLD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.16
Rot. Bonds4

About 3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide

3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide (PubChem CID 64549288) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
PubChem CID64549288
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCCC(C)(CO)NC(=O)c1cccc(N)c1
InChIInChI=1S/C12H18N2O2/c1-3-12(2,8-15)14-11(16)9-5-4-6-10(13)7-9/h4-7,15H,3,8,13H2,1-2H3,(H,14,16)
InChIKeyVEWUEJVLNPTWLD-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
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

3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 64558339
3-amino-N-(2-methylpentan-2-yl)benzamide;hydrochloride
CID 119763292
3-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
5-amino-2-bromo-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549076
4-amino-2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549490
N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide
CID 106164117
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64558344
N-(1-amino-3-methylpentan-3-yl)-3-fluorobenzamide
CID 106164885
4-(carbamoylamino)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64555959
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64557581

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide (CID 64549288) is 3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide is CCC(C)(CO)NC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
The InChIKey is VEWUEJVLNPTWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-12(2,8-15)14-11(16)9-5-4-6-10(13)7-9/h4-7,15H,3,8,13H2,1-2H3,(H,14,16).
What are the key properties of 3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide has a molecular weight of 222.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 64549288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).