N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide

C14H20N2O2 — CID 107672234

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(CN)C2CC2)ccc1O
InChIInChI=1S/C14H20N2O2/c1-9-7-10(3-6-12(9)17)13(18)16-14(2,8-15)11-4-5-11/h3,6-7,11,17H,4-5,8,15H2,1-2H3,(H,16,18)
InChIKeyQHUTVHIYTDGBTH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.56
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide (PubChem CID 107672234) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide
PubChem CID107672234
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NC(C)(CN)C2CC2)ccc1O
InChIInChI=1S/C14H20N2O2/c1-9-7-10(3-6-12(9)17)13(18)16-14(2,8-15)11-4-5-11/h3,6-7,11,17H,4-5,8,15H2,1-2H3,(H,16,18)
InChIKeyQHUTVHIYTDGBTH-UHFFFAOYSA-N
XLogP1.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-methylbenzamide;hydrochloride
CID 119574274
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119572342
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 119575326
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119573720
N-(1-amino-2-cyclopropylpropan-2-yl)-6-methylpyridine-3-carboxamide
CID 81487644
N-(1-amino-2-cyclopropylpropan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119575379
N-(1-amino-2-cyclopropylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 81486981
4-chloro-N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-methylbenzamide
CID 86814287
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyanobenzamide
CID 113283477

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide (CID 107672234) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NC(C)(CN)C2CC2)ccc1O.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide?
The InChIKey is QHUTVHIYTDGBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-7-10(3-6-12(9)17)13(18)16-14(2,8-15)11-4-5-11/h3,6-7,11,17H,4-5,8,15H2,1-2H3,(H,16,18).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107672234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).