N-(3-hydroxybutyl)-3-phenylmethoxybenzamide

C18H21NO3 — CID 111433563

IUPACN-(3-hydroxybutyl)-3-phenylmethoxybenzamide
SMILESCC(O)CCNC(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-14(20)10-11-19-18(21)16-8-5-9-17(12-16)22-13-15-6-3-2-4-7-15/h2-9,12,14,20H,10-11,13H2,1H3,(H,19,21)
InChIKeyZDIYQCPTEUYFLZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.77
Rot. Bonds7

About N-(3-hydroxybutyl)-3-phenylmethoxybenzamide

N-(3-hydroxybutyl)-3-phenylmethoxybenzamide (PubChem CID 111433563) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-3-phenylmethoxybenzamide
PubChem CID111433563
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(3-hydroxybutyl)-3-phenylmethoxybenzamide
SMILESCC(O)CCNC(=O)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H21NO3/c1-14(20)10-11-19-18(21)16-8-5-9-17(12-16)22-13-15-6-3-2-4-7-15/h2-9,12,14,20H,10-11,13H2,1H3,(H,19,21)
InChIKeyZDIYQCPTEUYFLZ-UHFFFAOYSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119497996
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158
N-[(2R)-2-(ethylamino)propyl]-3-phenylmethoxybenzamide
CID 120650597
dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium
CID 2539131
3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide
CID 86031288
4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol
CID 111336616
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 111433717
1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111337141
N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119494749
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-3-phenylmethoxybenzamide?
The IUPAC name of N-(3-hydroxybutyl)-3-phenylmethoxybenzamide (CID 111433563) is N-(3-hydroxybutyl)-3-phenylmethoxybenzamide.
What is the SMILES notation for N-(3-hydroxybutyl)-3-phenylmethoxybenzamide?
The canonical SMILES for N-(3-hydroxybutyl)-3-phenylmethoxybenzamide is CC(O)CCNC(=O)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-(3-hydroxybutyl)-3-phenylmethoxybenzamide?
The InChIKey is ZDIYQCPTEUYFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14(20)10-11-19-18(21)16-8-5-9-17(12-16)22-13-15-6-3-2-4-7-15/h2-9,12,14,20H,10-11,13H2,1H3,(H,19,21).
What are the key properties of N-(3-hydroxybutyl)-3-phenylmethoxybenzamide?
N-(3-hydroxybutyl)-3-phenylmethoxybenzamide has a molecular weight of 299.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-3-phenylmethoxybenzamide is sourced from PubChem (CID 111433563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).