N-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide

C19H23NO3 — CID 111974563

IUPACN-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide
SMILESCc1ccccc1CCCOc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C19H23NO3/c1-15-5-2-3-6-16(15)7-4-14-23-18-10-8-17(9-11-18)19(22)20-12-13-21/h2-3,5-6,8-11,21H,4,7,12-14H2,1H3,(H,20,22)
InChIKeySYJUOAXQPYKJCV-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.73
Rot. Bonds8

About N-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide

N-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide (PubChem CID 111974563) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide
PubChem CID111974563
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide
SMILESCc1ccccc1CCCOc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C19H23NO3/c1-15-5-2-3-6-16(15)7-4-14-23-18-10-8-17(9-11-18)19(22)20-12-13-21/h2-3,5-6,8-11,21H,4,7,12-14H2,1H3,(H,20,22)
InChIKeySYJUOAXQPYKJCV-UHFFFAOYSA-N
XLogP2.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-methylphenyl)propoxy]benzoic acid
CID 70113014
4-(difluoromethoxy)-N-[2-(2-methylphenyl)ethyl]benzamide
CID 27837749
4-[(2-fluorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111432867
N-(2-hydroxyethyl)-2-[4-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 111112371
4-[(2-chlorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 6462842
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654687
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
4-[(2-methylphenyl)methoxy]benzohydrazide
CID 17349910
N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
CID 78796548
N-[2-(4-bromophenoxy)ethyl]-2-(2-methylphenyl)acetamide
CID 113099729
N-[3-(2-methoxyphenyl)propyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46762989

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide (CID 111974563) is N-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide is Cc1ccccc1CCCOc1ccc(C(=O)NCCO)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide?
The InChIKey is SYJUOAXQPYKJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-15-5-2-3-6-16(15)7-4-14-23-18-10-8-17(9-11-18)19(22)20-12-13-21/h2-3,5-6,8-11,21H,4,7,12-14H2,1H3,(H,20,22).
What are the key properties of N-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide?
N-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide has a molecular weight of 313.40 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[3-(2-methylphenyl)propoxy]benzamide is sourced from PubChem (CID 111974563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).