N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide

C18H21NO3 — CID 111432837

IUPACN-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide
SMILESCc1ccccc1COc1cccc(C(=O)NCC(C)O)c1
InChIInChI=1S/C18H21NO3/c1-13-6-3-4-7-16(13)12-22-17-9-5-8-15(10-17)18(21)19-11-14(2)20/h3-10,14,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyHEFLGWHNTBILAQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.68
Rot. Bonds6

About N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide

N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide (PubChem CID 111432837) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide
PubChem CID111432837
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide
SMILESCc1ccccc1COc1cccc(C(=O)NCC(C)O)c1
InChIInChI=1S/C18H21NO3/c1-13-6-3-4-7-16(13)12-22-17-9-5-8-15(10-17)18(21)19-11-14(2)20/h3-10,14,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyHEFLGWHNTBILAQ-UHFFFAOYSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 111433717
3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide
CID 97221199
N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158
N-fluoro-3-[(2-fluoro-3-methylphenyl)methoxy]benzamide
CID 150788905
N-(3-hydroxybutyl)-3-phenylmethoxybenzamide
CID 111433563
1-N-[(2-methylphenyl)methyl]-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051262
N-[(2R)-2-(ethylamino)propyl]-3-phenylmethoxybenzamide
CID 120650597
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828194
3-[(2,6-dimethylphenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111448156
prop-2-ynyl 3-[(2-methylphenyl)methoxy]benzoate
CID 91681572

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide?
The IUPAC name of N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide (CID 111432837) is N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide?
The canonical SMILES for N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide is Cc1ccccc1COc1cccc(C(=O)NCC(C)O)c1.
What is the InChIKey of N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide?
The InChIKey is HEFLGWHNTBILAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-6-3-4-7-16(13)12-22-17-9-5-8-15(10-17)18(21)19-11-14(2)20/h3-10,14,20H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide?
N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide has a molecular weight of 299.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 111432837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).