3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide

C13H19N3O3 — CID 104593481

IUPAC3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCC(O)CNCCNC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C13H19N3O3/c1-9(17)8-15-5-6-16-13(19)11-4-2-3-10(7-11)12(14)18/h2-4,7,9,15,17H,5-6,8H2,1H3,(H2,14,18)(H,16,19)
InChIKeyJIPUFZFYISVLLC-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.51
Rot. Bonds7

About 3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide

3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide (PubChem CID 104593481) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide
PubChem CID104593481
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide
SMILESCC(O)CNCCNC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C13H19N3O3/c1-9(17)8-15-5-6-16-13(19)11-4-2-3-10(7-11)12(14)18/h2-4,7,9,15,17H,5-6,8H2,1H3,(H2,14,18)(H,16,19)
InChIKeyJIPUFZFYISVLLC-UHFFFAOYSA-N
XLogP-0.51
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-(3-aminobutyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119498174
4-[(3-carbamoylbenzoyl)amino]-2-methylbutanoic acid
CID 80540452
3,4-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593713
5-[(3-carbamoylbenzoyl)amino]-2-methylpentanoic acid
CID 104682792
4-chloro-N-[2-(2-hydroxypropylamino)ethyl]-3-methylbenzamide
CID 104593499
3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430430
5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
CID 107963728
3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide
CID 81482947
4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107990807
4-bromo-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430397
methyl 3-[(3-carbamoylbenzoyl)amino]propanoate
CID 47159745
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide (CID 104593481) is 3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide is CC(O)CNCCNC(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is JIPUFZFYISVLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(17)8-15-5-6-16-13(19)11-4-2-3-10(7-11)12(14)18/h2-4,7,9,15,17H,5-6,8H2,1H3,(H2,14,18)(H,16,19).
What are the key properties of 3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide?
3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 265.31 g/mol, XLogP of -0.51, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 104593481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).