2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide

C20H25N3O3 — CID 34068567

IUPAC2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)NCCOc2cccc(C)c2)c1C
InChIInChI=1S/C20H25N3O3/c1-14-6-4-7-17(12-14)26-11-10-21-20(25)13-22-18-8-5-9-19(15(18)2)23-16(3)24/h4-9,12,22H,10-11,13H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyXZMREYAXHYRKLI-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.87
Rot. Bonds8

About 2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide

2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 34068567) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID34068567
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)NCCOc2cccc(C)c2)c1C
InChIInChI=1S/C20H25N3O3/c1-14-6-4-7-17(12-14)26-11-10-21-20(25)13-22-18-8-5-9-19(15(18)2)23-16(3)24/h4-9,12,22H,10-11,13H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyXZMREYAXHYRKLI-UHFFFAOYSA-N
XLogP2.87
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.87
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-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55437054
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31525310
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
N-(2-methoxyethyl)-2-[2-(3-methylphenoxy)ethylamino]acetamide
CID 54940682
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
3,5-diacetamido-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 9489173
2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849
3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552780
2-(3-fluorophenyl)-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]acetamide
CID 46489994
N-(2-hydroxyethyl)-2-methyl-3-[2-(3-methylphenoxy)ethylamino]benzamide
CID 111778028

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 34068567) is 2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide is CC(=O)Nc1cccc(NCC(=O)NCCOc2cccc(C)c2)c1C.
What is the InChIKey of 2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is XZMREYAXHYRKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-6-4-7-17(12-14)26-11-10-21-20(25)13-22-18-8-5-9-19(15(18)2)23-16(3)24/h4-9,12,22H,10-11,13H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of 2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 34068567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).