N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide

C18H21NO2 — CID 103865726

IUPACN-butyl-4-hydroxy-2-methyl-N-phenylbenzamide
SMILESCCCCN(C(=O)c1ccc(O)cc1C)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-4-12-19(15-8-6-5-7-9-15)18(21)17-11-10-16(20)13-14(17)2/h5-11,13,20H,3-4,12H2,1-2H3
InChIKeyFTBBXURFNSRZLN-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.15
Rot. Bonds5

About N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide

N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide (PubChem CID 103865726) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide.

Molecular Properties

Compound NameN-butyl-4-hydroxy-2-methyl-N-phenylbenzamide
PubChem CID103865726
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-butyl-4-hydroxy-2-methyl-N-phenylbenzamide
SMILESCCCCN(C(=O)c1ccc(O)cc1C)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-3-4-12-19(15-8-6-5-7-9-15)18(21)17-11-10-16(20)13-14(17)2/h5-11,13,20H,3-4,12H2,1-2H3
InChIKeyFTBBXURFNSRZLN-UHFFFAOYSA-N
XLogP4.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980
N-butyl-2-hydroxy-5-methyl-N-phenylbenzamide
CID 60715687
N-butyl-4-fluoro-2-hydroxy-N-phenylbenzamide
CID 103889306
N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107735686
2-amino-4-bromo-N-butyl-N-phenylbenzamide
CID 79705607
N-butyl-N-(4-hydroxyphenyl)-2-methoxybenzamide
CID 162786310
N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
CID 64586177
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
4-[2-(dimethylamino)ethyl-phenylcarbamoyl]-3-methylbenzoic acid
CID 154868381
5-amino-N-butyl-2-fluoro-N-phenylbenzamide
CID 62056959
N-butyl-3-methyl-4-nitro-N-phenylbenzamide
CID 2987199
N,N-diethyl-4-hydroxy-2-methylbenzamide
CID 103863610

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide?
The IUPAC name of N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide (CID 103865726) is N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide.
What is the SMILES notation for N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide?
The canonical SMILES for N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide is CCCCN(C(=O)c1ccc(O)cc1C)c1ccccc1.
What is the InChIKey of N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide?
The InChIKey is FTBBXURFNSRZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-4-12-19(15-8-6-5-7-9-15)18(21)17-11-10-16(20)13-14(17)2/h5-11,13,20H,3-4,12H2,1-2H3.
What are the key properties of N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide?
N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-hydroxy-2-methyl-N-phenylbenzamide is sourced from PubChem (CID 103865726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).