2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide

C20H25N3O4 — CID 55437054

IUPAC2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCC(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C20H25N3O4/c1-14-5-4-6-17(11-14)27-10-9-21-20(25)13-22-18-12-16(23-15(2)24)7-8-19(18)26-3/h4-8,11-12,22H,9-10,13H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyTZMUFWFJYRTANT-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.57
Rot. Bonds9

About 2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide

2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide (PubChem CID 55437054) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
PubChem CID55437054
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NCC(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C20H25N3O4/c1-14-5-4-6-17(11-14)27-10-9-21-20(25)13-22-18-12-16(23-15(2)24)7-8-19(18)26-3/h4-8,11-12,22H,9-10,13H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyTZMUFWFJYRTANT-UHFFFAOYSA-N
XLogP2.57
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31525310
2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 34068567
N-(5-acetamido-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 51224557
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 38155146
2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54814109
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969963
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
N-(2-methoxyethyl)-2-[2-(3-methylphenoxy)ethylamino]acetamide
CID 54940682
2-(4-acetyl-2-methoxyphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 17413856
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 8873735
2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31673267

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide (CID 55437054) is 2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide is COc1ccc(NC(C)=O)cc1NCC(=O)NCCOc1cccc(C)c1.
What is the InChIKey of 2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide?
The InChIKey is TZMUFWFJYRTANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-14-5-4-6-17(11-14)27-10-9-21-20(25)13-22-18-12-16(23-15(2)24)7-8-19(18)26-3/h4-8,11-12,22H,9-10,13H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of 2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide?
2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.57, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 55437054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).