3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide

C13H20N2O3 — CID 107811092

IUPAC3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide
SMILESCC(C)OCC(O)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C13H20N2O3/c1-9(2)18-8-12(16)7-15-11-5-3-4-10(6-11)13(14)17/h3-6,9,12,15-16H,7-8H2,1-2H3,(H2,14,17)
InChIKeyJJSRVKHSZQLLMU-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.98
Rot. Bonds7

About 3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide

3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide (PubChem CID 107811092) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide.

Molecular Properties

Compound Name3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide
PubChem CID107811092
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide
SMILESCC(C)OCC(O)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C13H20N2O3/c1-9(2)18-8-12(16)7-15-11-5-3-4-10(6-11)13(14)17/h3-6,9,12,15-16H,7-8H2,1-2H3,(H2,14,17)
InChIKeyJJSRVKHSZQLLMU-UHFFFAOYSA-N
XLogP0.98
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromoanilino)-3-propan-2-yloxypropan-2-ol
CID 60898175
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide
CID 107811167
3-(2,4-dimethylpentylamino)benzamide
CID 114200196
3-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]benzamide
CID 107811165
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide
CID 107811332
4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide
CID 60897902
3-[2-(1-cyanoethoxy)ethylamino]benzamide
CID 114266170
methyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316702
3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide
CID 114003701
1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 81260100
2-fluoro-5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzonitrile
CID 55058015

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide?
The IUPAC name of 3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide (CID 107811092) is 3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide.
What is the SMILES notation for 3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide?
The canonical SMILES for 3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide is CC(C)OCC(O)CNc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide?
The InChIKey is JJSRVKHSZQLLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)18-8-12(16)7-15-11-5-3-4-10(6-11)13(14)17/h3-6,9,12,15-16H,7-8H2,1-2H3,(H2,14,17).
What are the key properties of 3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide?
3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide has a molecular weight of 252.31 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide is sourced from PubChem (CID 107811092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).