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

C18H22N2O2 — CID 119122196

IUPAC4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
SMILESCC(CCc1ccc(O)cc1)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H22N2O2/c1-13(2-3-14-6-10-17(21)11-7-14)20-12-15-4-8-16(9-5-15)18(19)22/h4-11,13,20-21H,2-3,12H2,1H3,(H2,19,22)
InChIKeyAVUZDZZYCZRJSL-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.60
Rot. Bonds7

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

4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide (PubChem CID 119122196) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
PubChem CID119122196
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
SMILESCC(CCc1ccc(O)cc1)NCc1ccc(C(N)=O)cc1
InChIInChI=1S/C18H22N2O2/c1-13(2-3-14-6-10-17(21)11-7-14)20-12-15-4-8-16(9-5-15)18(19)22/h4-11,13,20-21H,2-3,12H2,1H3,(H2,19,22)
InChIKeyAVUZDZZYCZRJSL-UHFFFAOYSA-N
XLogP2.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[(4-ethylsulfanylbutan-2-ylamino)methyl]benzamide
CID 115660454
4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol
CID 119122210
4-[[4-(2H-indazol-3-yl)butan-2-ylamino]methyl]benzamide
CID 166372456
3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide
CID 43202886
4-[(1-phenylpropan-2-ylamino)methyl]benzamide
CID 63012099
4-[3-(thiophen-3-ylmethylamino)butyl]phenol
CID 43746689
3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]carbamoylamino]-4-methylbenzamide
CID 168974018
4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzamide
CID 60674315
4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide
CID 43783642
6-[4-[3-[(4-methoxyphenyl)methylamino]butyl]phenoxy]pyridine-3-carboxamide
CID 68746356
methyl 2-[(4-carbamoylphenyl)methylamino]propanoate
CID 60781943

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide?
The IUPAC name of 4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide (CID 119122196) is 4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide.
What is the SMILES notation for 4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide?
The canonical SMILES for 4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide is CC(CCc1ccc(O)cc1)NCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide?
The InChIKey is AVUZDZZYCZRJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(2-3-14-6-10-17(21)11-7-14)20-12-15-4-8-16(9-5-15)18(19)22/h4-11,13,20-21H,2-3,12H2,1H3,(H2,19,22).
What are the key properties of 4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide?
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide has a molecular weight of 298.39 g/mol, XLogP of 2.60, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide is sourced from PubChem (CID 119122196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).