N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide

C19H24N2O3 — CID 111778028

IUPACN-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide
SMILESCc1cccc(OCCNc2cccc(C(=O)NCCO)c2C)c1
InChIInChI=1S/C19H24N2O3/c1-14-5-3-6-16(13-14)24-12-10-20-18-8-4-7-17(15(18)2)19(23)21-9-11-22/h3-8,13,20,22H,9-12H2,1-2H3,(H,21,23)
InChIKeyOYENRNYGEDOQRK-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.52
Rot. Bonds8

About N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide

N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide (PubChem CID 111778028) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide
PubChem CID111778028
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide
SMILESCc1cccc(OCCNc2cccc(C(=O)NCCO)c2C)c1
InChIInChI=1S/C19H24N2O3/c1-14-5-3-6-16(13-14)24-12-10-20-18-8-4-7-17(15(18)2)19(23)21-9-11-22/h3-8,13,20,22H,9-12H2,1-2H3,(H,21,23)
InChIKeyOYENRNYGEDOQRK-UHFFFAOYSA-N
XLogP2.52
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196
2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849
3-[(2,4-dimethylphenyl)methylamino]-N-(2-hydroxyethyl)-2-methylbenzamide
CID 110906218
[2-[2-(3-methylphenoxy)ethylcarbamoyl]phenyl] acetate
CID 86574466
2-methyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 60679514
2-bromo-4-chloro-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 103763433
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521
2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 34068567
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62235691
2-ethoxy-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 27859242
2-fluoro-6-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104916567
3-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 105071680

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide (CID 111778028) is N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide is Cc1cccc(OCCNc2cccc(C(=O)NCCO)c2C)c1.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide?
The InChIKey is OYENRNYGEDOQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-5-3-6-16(13-14)24-12-10-20-18-8-4-7-17(15(18)2)19(23)21-9-11-22/h3-8,13,20,22H,9-12H2,1-2H3,(H,21,23).
What are the key properties of N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide?
N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide has a molecular weight of 328.41 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide is sourced from PubChem (CID 111778028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).