N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide

C13H20N2O2 — CID 97329344

IUPACN-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1cccc(C(=O)N[C@H](C)CO)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)14-12-6-4-5-11(7-12)13(17)15-10(3)8-16/h4-7,9-10,14,16H,8H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyGRFRDGLZGAFAJV-SNVBAGLBSA-N
MW236.31 g/mol
LogP1.62
Rot. Bonds5

About N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide

N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide (PubChem CID 97329344) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide
PubChem CID97329344
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1cccc(C(=O)N[C@H](C)CO)c1
InChIInChI=1S/C13H20N2O2/c1-9(2)14-12-6-4-5-11(7-12)13(17)15-10(3)8-16/h4-7,9-10,14,16H,8H2,1-3H3,(H,15,17)/t10-/m1/s1
InChIKeyGRFRDGLZGAFAJV-SNVBAGLBSA-N
XLogP1.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexanecarbonylamino)-N-(1-hydroxypropan-2-yl)benzamide
CID 78866259
N-(1-hydroxypropan-2-yl)-3-nitrobenzamide
CID 18712222
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
N-(1-hydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 78896710
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 47032107
methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate
CID 66173914
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434
3-(1-phenylethylamino)-N-propan-2-ylbenzamide
CID 43693971
3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide
CID 43693956
3-(heptan-3-ylamino)-N-propan-2-ylbenzamide
CID 63945899
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide
CID 95787778

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide (CID 97329344) is N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide is CC(C)Nc1cccc(C(=O)N[C@H](C)CO)c1.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide?
The InChIKey is GRFRDGLZGAFAJV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)14-12-6-4-5-11(7-12)13(17)15-10(3)8-16/h4-7,9-10,14,16H,8H2,1-3H3,(H,15,17)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide?
N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide has a molecular weight of 236.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide is sourced from PubChem (CID 97329344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).