N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide

C18H22N2O3 — CID 54810605

IUPACN-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide
SMILESCOCCOc1ccc(NC(=O)CNc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-14-4-3-5-16(12-14)19-13-18(21)20-15-6-8-17(9-7-15)23-11-10-22-2/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21)
InChIKeyVASCJXNUGPMBLU-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.07
Rot. Bonds8

About N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide

N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide (PubChem CID 54810605) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide
PubChem CID54810605
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide
SMILESCOCCOc1ccc(NC(=O)CNc2cccc(C)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-14-4-3-5-16(12-14)19-13-18(21)20-15-6-8-17(9-7-15)23-11-10-22-2/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21)
InChIKeyVASCJXNUGPMBLU-UHFFFAOYSA-N
XLogP3.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.07
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-dimethylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829779
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840849
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
N-[3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843353
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
N-(4-ethoxyphenyl)-4-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9100801
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide?
The IUPAC name of N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide (CID 54810605) is N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide is COCCOc1ccc(NC(=O)CNc2cccc(C)c2)cc1.
What is the InChIKey of N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide?
The InChIKey is VASCJXNUGPMBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14-4-3-5-16(12-14)19-13-18(21)20-15-6-8-17(9-7-15)23-11-10-22-2/h3-9,12,19H,10-11,13H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide?
N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide has a molecular weight of 314.39 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylanilino)acetamide is sourced from PubChem (CID 54810605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).