3-amino-N-(3-hydroxy-2-methylpropyl)benzamide

C11H16N2O2 — CID 65032070

IUPAC3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
SMILESCC(CO)CNC(=O)c1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-8(7-14)6-13-11(15)9-3-2-4-10(12)5-9/h2-5,8,14H,6-7,12H2,1H3,(H,13,15)
InChIKeyVRWDTUORAWIDLS-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.63
Rot. Bonds4

About 3-amino-N-(3-hydroxy-2-methylpropyl)benzamide

3-amino-N-(3-hydroxy-2-methylpropyl)benzamide (PubChem CID 65032070) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
PubChem CID65032070
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-amino-N-(3-hydroxy-2-methylpropyl)benzamide
SMILESCC(CO)CNC(=O)c1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-8(7-14)6-13-11(15)9-3-2-4-10(12)5-9/h2-5,8,14H,6-7,12H2,1H3,(H,13,15)
InChIKeyVRWDTUORAWIDLS-UHFFFAOYSA-N
XLogP0.63
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.63
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-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981976
3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031989
3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 119817771
N-(3-hydroxy-2-methylpropyl)-3-(methylsulfanylmethyl)benzamide
CID 65031487
3-amino-N-(2-methoxy-3-methylbutyl)benzamide;hydrochloride
CID 119813458
3-amino-N-(2,2-diethoxyethyl)benzamide
CID 79547967
N-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333
2,4-diamino-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031850
3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid
CID 106109026
N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 65037202
1-(3-aminophenyl)-N-(3-hydroxy-2-methylpropyl)pyrazole-3-carboxamide
CID 65032072
3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119875581

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 3-amino-N-(3-hydroxy-2-methylpropyl)benzamide (CID 65032070) is 3-amino-N-(3-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 3-amino-N-(3-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 3-amino-N-(3-hydroxy-2-methylpropyl)benzamide is CC(CO)CNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-(3-hydroxy-2-methylpropyl)benzamide?
The InChIKey is VRWDTUORAWIDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(7-14)6-13-11(15)9-3-2-4-10(12)5-9/h2-5,8,14H,6-7,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-(3-hydroxy-2-methylpropyl)benzamide?
3-amino-N-(3-hydroxy-2-methylpropyl)benzamide has a molecular weight of 208.26 g/mol, XLogP of 0.63, 4 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-methylpropyl)benzamide is sourced from PubChem (CID 65032070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).