4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide

C14H22N2O3 — CID 60897902

IUPAC4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide
SMILESCC(C)COCC(O)CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H22N2O3/c1-10(2)8-19-9-13(17)7-16-12-5-3-11(4-6-12)14(15)18/h3-6,10,13,16-17H,7-9H2,1-2H3,(H2,15,18)
InChIKeyXJTBPHFNMXZTSU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.23
Rot. Bonds8

About 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide

4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide (PubChem CID 60897902) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide
PubChem CID60897902
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide
SMILESCC(C)COCC(O)CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H22N2O3/c1-10(2)8-19-9-13(17)7-16-12-5-3-11(4-6-12)14(15)18/h3-6,10,13,16-17H,7-9H2,1-2H3,(H2,15,18)
InChIKeyXJTBPHFNMXZTSU-UHFFFAOYSA-N
XLogP1.23
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-amino-3-hydroxybutyl)amino]benzamide
CID 64541293
1-(3-bromo-4-methylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55200784
1-[4-(4-aminophenyl)sulfonylanilino]-3-(2-hydroxypropoxy)propan-2-ol
CID 171439817
4-(2-methylpentylamino)benzamide
CID 43201058
3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide
CID 107811092
1-(2,6-dimethylanilino)-3-(2-methylpropoxy)propan-2-ol
CID 55061574
1-[4-chloro-3-(trifluoromethyl)anilino]-3-(2-methylpropoxy)propan-2-ol
CID 60899678
1-(4-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900494
methyl 4-(2-methylpropylamino)benzoate
CID 12045610
2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]oxyacetamide
CID 112673777
ethyl 4-[(3-chloro-2-hydroxypropyl)amino]benzoate
CID 168600820
4-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]benzamide
CID 60876825

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide?
The IUPAC name of 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide (CID 60897902) is 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide.
What is the SMILES notation for 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide?
The canonical SMILES for 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide is CC(C)COCC(O)CNc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide?
The InChIKey is XJTBPHFNMXZTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)8-19-9-13(17)7-16-12-5-3-11(4-6-12)14(15)18/h3-6,10,13,16-17H,7-9H2,1-2H3,(H2,15,18).
What are the key properties of 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide?
4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide has a molecular weight of 266.34 g/mol, XLogP of 1.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]benzamide is sourced from PubChem (CID 60897902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).