N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide

C18H21NO4 — CID 119051375

IUPACN-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide
SMILESCC[C@H](O)COc1ccc(NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C18H21NO4/c1-3-14(20)12-23-15-10-8-13(9-11-15)19-18(21)16-6-4-5-7-17(16)22-2/h4-11,14,20H,3,12H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyXOMJTAJDFXBPOE-AWEZNQCLSA-N
MW315.37 g/mol
LogP3.10
Rot. Bonds7

About N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide

N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide (PubChem CID 119051375) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide
PubChem CID119051375
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide
SMILESCC[C@H](O)COc1ccc(NC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C18H21NO4/c1-3-14(20)12-23-15-10-8-13(9-11-15)19-18(21)16-6-4-5-7-17(16)22-2/h4-11,14,20H,3,12H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyXOMJTAJDFXBPOE-AWEZNQCLSA-N
XLogP3.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 9318169
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxybenzamide
CID 17130584
2-ethoxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 4940660
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide
CID 9114687
2-methoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130159
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 18227530
N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 9401212
2-methoxy-N-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 18224632
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide (CID 119051375) is N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide is CC[C@H](O)COc1ccc(NC(=O)c2ccccc2OC)cc1.
What is the InChIKey of N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide?
The InChIKey is XOMJTAJDFXBPOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21NO4/c1-3-14(20)12-23-15-10-8-13(9-11-15)19-18(21)16-6-4-5-7-17(16)22-2/h4-11,14,20H,3,12H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide?
N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide has a molecular weight of 315.37 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 119051375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).