3-[1-(4-hydroxyphenyl)propylamino]benzamide

C16H18N2O2 — CID 43202878

IUPAC3-[1-(4-hydroxyphenyl)propylamino]benzamide
SMILESCCC(Nc1cccc(C(N)=O)c1)c1ccc(O)cc1
InChIInChI=1S/C16H18N2O2/c1-2-15(11-6-8-14(19)9-7-11)18-13-5-3-4-12(10-13)16(17)20/h3-10,15,18-19H,2H2,1H3,(H2,17,20)
InChIKeyJESKQQGZTFLJFN-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.05
Rot. Bonds5

About 3-[1-(4-hydroxyphenyl)propylamino]benzamide

3-[1-(4-hydroxyphenyl)propylamino]benzamide (PubChem CID 43202878) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[1-(4-hydroxyphenyl)propylamino]benzamide.

Molecular Properties

Compound Name3-[1-(4-hydroxyphenyl)propylamino]benzamide
PubChem CID43202878
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[1-(4-hydroxyphenyl)propylamino]benzamide
SMILESCCC(Nc1cccc(C(N)=O)c1)c1ccc(O)cc1
InChIInChI=1S/C16H18N2O2/c1-2-15(11-6-8-14(19)9-7-11)18-13-5-3-4-12(10-13)16(17)20/h3-10,15,18-19H,2H2,1H3,(H2,17,20)
InChIKeyJESKQQGZTFLJFN-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

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Related Compounds

3-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43202853
3-[1-(4-methylphenyl)propylamino]phenol
CID 43207013
4-[1-[3-(methoxymethyl)anilino]propyl]phenol
CID 43672141
4-[1-(3-propoxyanilino)propyl]phenol
CID 43693694
3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide
CID 43202886
3-[1-(4-ethylphenyl)ethylamino]benzamide
CID 43202914
2-[1-(4-hydroxyphenyl)propylamino]ethylurea
CID 83110517
4-(1-phenylpropylamino)phenol
CID 43742837
4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43192997
N-[3-[1-(4-chlorophenyl)propylamino]phenyl]acetamide
CID 43095855
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103603772
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxyphenyl)propylamino]benzamide?
The IUPAC name of 3-[1-(4-hydroxyphenyl)propylamino]benzamide (CID 43202878) is 3-[1-(4-hydroxyphenyl)propylamino]benzamide.
What is the SMILES notation for 3-[1-(4-hydroxyphenyl)propylamino]benzamide?
The canonical SMILES for 3-[1-(4-hydroxyphenyl)propylamino]benzamide is CCC(Nc1cccc(C(N)=O)c1)c1ccc(O)cc1.
What is the InChIKey of 3-[1-(4-hydroxyphenyl)propylamino]benzamide?
The InChIKey is JESKQQGZTFLJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-15(11-6-8-14(19)9-7-11)18-13-5-3-4-12(10-13)16(17)20/h3-10,15,18-19H,2H2,1H3,(H2,17,20).
What are the key properties of 3-[1-(4-hydroxyphenyl)propylamino]benzamide?
3-[1-(4-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 3-[1-(4-hydroxyphenyl)propylamino]benzamide is sourced from PubChem (CID 43202878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).