N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide

C18H21N3O3 — CID 54812602

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C18H21N3O3/c1-13(22)21(2)16-8-4-15(5-9-16)20-18(23)12-19-14-6-10-17(24-3)11-7-14/h4-11,19H,12H2,1-3H3,(H,20,23)
InChIKeyLIIXOOMJTQZSML-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.73
Rot. Bonds6

About N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide

N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide (PubChem CID 54812602) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide
PubChem CID54812602
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C18H21N3O3/c1-13(22)21(2)16-8-4-15(5-9-16)20-18(23)12-19-14-6-10-17(24-3)11-7-14/h4-11,19H,12H2,1-3H3,(H,20,23)
InChIKeyLIIXOOMJTQZSML-UHFFFAOYSA-N
XLogP2.73
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822163
2-[4-[acetyl(methyl)amino]anilino]-N-(4-ethoxyphenyl)acetamide
CID 54810999
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide
CID 54821839
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide
CID 54811210
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825570
N-[4-[acetyl(methyl)amino]phenyl]-4-methoxybenzamide
CID 730548
4-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834231
2-(3-acetamidoanilino)-N-[4-[acetyl(methyl)amino]phenyl]acetamide
CID 54831552
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332
2-[4-[acetyl(methyl)amino]anilino]-N-tert-butylacetamide
CID 54811252

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide (CID 54812602) is N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide is COc1ccc(NCC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide?
The InChIKey is LIIXOOMJTQZSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(22)21(2)16-8-4-15(5-9-16)20-18(23)12-19-14-6-10-17(24-3)11-7-14/h4-11,19H,12H2,1-3H3,(H,20,23).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 54812602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).