N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide

C19H24N2O3 — CID 54829779

IUPACN-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
SMILESCOCCOc1cccc(NCC(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H24N2O3/c1-14-9-15(2)11-17(10-14)21-19(22)13-20-16-5-4-6-18(12-16)24-8-7-23-3/h4-6,9-12,20H,7-8,13H2,1-3H3,(H,21,22)
InChIKeyCVIHSEHSVOCCIP-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.38
Rot. Bonds8

About N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide

N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide (PubChem CID 54829779) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
PubChem CID54829779
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
SMILESCOCCOc1cccc(NCC(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H24N2O3/c1-14-9-15(2)11-17(10-14)21-19(22)13-20-16-5-4-6-18(12-16)24-8-7-23-3/h4-6,9-12,20H,7-8,13H2,1-3H3,(H,21,22)
InChIKeyCVIHSEHSVOCCIP-UHFFFAOYSA-N
XLogP3.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichlorophenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829747
2-(3,5-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813315
N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide
CID 54810605
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830494
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
methyl 4-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]benzoate
CID 54817060
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
N-[4-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829431
N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756
N-(4-methylphenyl)-2-(3-propoxyanilino)acetamide
CID 36860720
2-[3-(2-methoxyethoxy)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 87029683
2-(4-methylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54813929

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide (CID 54829779) is N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide is COCCOc1cccc(NCC(=O)Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide?
The InChIKey is CVIHSEHSVOCCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-14-9-15(2)11-17(10-14)21-19(22)13-20-16-5-4-6-18(12-16)24-8-7-23-3/h4-6,9-12,20H,7-8,13H2,1-3H3,(H,21,22).
What are the key properties of N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide?
N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide has a molecular weight of 328.41 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54829779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).