N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide

C20H25NO3 — CID 111433717

IUPACN-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
SMILESCc1ccccc1COc1cccc(CC(=O)NCCC(C)O)c1
InChIInChI=1S/C20H25NO3/c1-15-6-3-4-8-18(15)14-24-19-9-5-7-17(12-19)13-20(23)21-11-10-16(2)22/h3-9,12,16,22H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyRIUNGKZUHKQMDH-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.00
Rot. Bonds8

About N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide

N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide (PubChem CID 111433717) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
PubChem CID111433717
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
SMILESCc1ccccc1COc1cccc(CC(=O)NCCC(C)O)c1
InChIInChI=1S/C20H25NO3/c1-15-6-3-4-8-18(15)14-24-19-9-5-7-17(12-19)13-20(23)21-11-10-16(2)22/h3-9,12,16,22H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyRIUNGKZUHKQMDH-UHFFFAOYSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 119382324
N-(3-aminopropyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide;hydrochloride
CID 119405187
4-methoxy-2-[[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]amino]butanoic acid
CID 120703020
N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide
CID 111432837
2-[3-[(2-methylphenyl)methoxy]phenyl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119390993
N-(3-hydroxybutyl)-3-phenylmethoxybenzamide
CID 111433563
2-[3-[(2,6-dimethylphenyl)methoxy]phenyl]-N-(2-hydroxyethyl)acetamide
CID 15949136
N-(2-hydroxyethyl)-2-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 111112371
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
4-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]butan-2-ol
CID 111336609
4-methyl-2-[[3-[(2-methylphenyl)methoxy]phenyl]methylamino]pentanoic acid
CID 66528160
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide?
The IUPAC name of N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide (CID 111433717) is N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide is Cc1ccccc1COc1cccc(CC(=O)NCCC(C)O)c1.
What is the InChIKey of N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide?
The InChIKey is RIUNGKZUHKQMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15-6-3-4-8-18(15)14-24-19-9-5-7-17(12-19)13-20(23)21-11-10-16(2)22/h3-9,12,16,22H,10-11,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide?
N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide is sourced from PubChem (CID 111433717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).