3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide

C17H20N2O2 — CID 43202886

IUPAC3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide
SMILESCC(CCc1ccc(O)cc1)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C17H20N2O2/c1-12(5-6-13-7-9-16(20)10-8-13)19-15-4-2-3-14(11-15)17(18)21/h2-4,7-12,19-20H,5-6H2,1H3,(H2,18,21)
InChIKeyGTBKJRMPXQLFMN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.92
Rot. Bonds6

About 3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide

3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide (PubChem CID 43202886) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide.

Molecular Properties

Compound Name3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide
PubChem CID43202886
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide
SMILESCC(CCc1ccc(O)cc1)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C17H20N2O2/c1-12(5-6-13-7-9-16(20)10-8-13)19-15-4-2-3-14(11-15)17(18)21/h2-4,7-12,19-20H,5-6H2,1H3,(H2,18,21)
InChIKeyGTBKJRMPXQLFMN-UHFFFAOYSA-N
XLogP2.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43202853
3-(hex-5-en-2-ylamino)benzamide
CID 104584057
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
3-[1-(4-hydroxyphenyl)propylamino]benzamide
CID 43202878
3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide
CID 168974018
4-[3-(3,5-difluoroanilino)butyl]phenol
CID 43196014
3-[1-(4-ethylphenyl)ethylamino]benzamide
CID 43202914
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103603772
methyl 2-(3-carbamoylanilino)propanoate
CID 66174696
4-[3-(4-bromo-3-chloroanilino)butyl]phenol
CID 107618811
N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide
CID 75509356
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide
CID 61212956

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide?
The IUPAC name of 3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide (CID 43202886) is 3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide.
What is the SMILES notation for 3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide?
The canonical SMILES for 3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide is CC(CCc1ccc(O)cc1)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide?
The InChIKey is GTBKJRMPXQLFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(5-6-13-7-9-16(20)10-8-13)19-15-4-2-3-14(11-15)17(18)21/h2-4,7-12,19-20H,5-6H2,1H3,(H2,18,21).
What are the key properties of 3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide?
3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide is sourced from PubChem (CID 43202886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).