4-[1-(2-hydroxyphenyl)propylamino]benzamide

C16H18N2O2 — CID 43193016

IUPAC4-[1-(2-hydroxyphenyl)propylamino]benzamide
SMILESCCC(Nc1ccc(C(N)=O)cc1)c1ccccc1O
InChIInChI=1S/C16H18N2O2/c1-2-14(13-5-3-4-6-15(13)19)18-12-9-7-11(8-10-12)16(17)20/h3-10,14,18-19H,2H2,1H3,(H2,17,20)
InChIKeyBQHMFSYDGDRHGY-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.05
Rot. Bonds5

About 4-[1-(2-hydroxyphenyl)propylamino]benzamide

4-[1-(2-hydroxyphenyl)propylamino]benzamide (PubChem CID 43193016) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[1-(2-hydroxyphenyl)propylamino]benzamide.

Molecular Properties

Compound Name4-[1-(2-hydroxyphenyl)propylamino]benzamide
PubChem CID43193016
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name4-[1-(2-hydroxyphenyl)propylamino]benzamide
SMILESCCC(Nc1ccc(C(N)=O)cc1)c1ccccc1O
InChIInChI=1S/C16H18N2O2/c1-2-14(13-5-3-4-6-15(13)19)18-12-9-7-11(8-10-12)16(17)20/h3-10,14,18-19H,2H2,1H3,(H2,17,20)
InChIKeyBQHMFSYDGDRHGY-UHFFFAOYSA-N
XLogP3.05
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43321630
2-[1-(3,4-dimethylanilino)propyl]phenol
CID 43194157
2-[1-[4-(difluoromethylsulfanyl)anilino]propyl]phenol
CID 43673094
2-[1-(3,4-dimethoxyanilino)propyl]phenol
CID 43192747
4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43192997
2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol
CID 64793529
2-[1-(3,4-dichloroanilino)propyl]phenol
CID 43105604
2-fluoro-5-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43727906
2-[1-(2-hydroxyphenyl)propylamino]propanamide
CID 43545377
4-[1-(2-ethoxyphenyl)ethylamino]benzamide
CID 43193018
2-[1-[3-(dimethylamino)anilino]propyl]phenol
CID 115376440
4-[1-(5-bromo-2-hydroxyphenyl)propylamino]benzoic acid
CID 43321641

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxyphenyl)propylamino]benzamide?
The IUPAC name of 4-[1-(2-hydroxyphenyl)propylamino]benzamide (CID 43193016) is 4-[1-(2-hydroxyphenyl)propylamino]benzamide.
What is the SMILES notation for 4-[1-(2-hydroxyphenyl)propylamino]benzamide?
The canonical SMILES for 4-[1-(2-hydroxyphenyl)propylamino]benzamide is CCC(Nc1ccc(C(N)=O)cc1)c1ccccc1O.
What is the InChIKey of 4-[1-(2-hydroxyphenyl)propylamino]benzamide?
The InChIKey is BQHMFSYDGDRHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-14(13-5-3-4-6-15(13)19)18-12-9-7-11(8-10-12)16(17)20/h3-10,14,18-19H,2H2,1H3,(H2,17,20).
What are the key properties of 4-[1-(2-hydroxyphenyl)propylamino]benzamide?
4-[1-(2-hydroxyphenyl)propylamino]benzamide has a molecular weight of 270.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxyphenyl)propylamino]benzamide is sourced from PubChem (CID 43193016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).