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

C20H25N3O4 — CID 54822163

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide
SMILESCOCCOc1ccc(NCC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C20H25N3O4/c1-15(24)23(2)18-8-4-17(5-9-18)22-20(25)14-21-16-6-10-19(11-7-16)27-13-12-26-3/h4-11,21H,12-14H2,1-3H3,(H,22,25)
InChIKeyPGIQLLBQJOHMLE-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.75
Rot. Bonds9

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

N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide (PubChem CID 54822163) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide
PubChem CID54822163
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide
SMILESCOCCOc1ccc(NCC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C20H25N3O4/c1-15(24)23(2)18-8-4-17(5-9-18)22-20(25)14-21-16-6-10-19(11-7-16)27-13-12-26-3/h4-11,21H,12-14H2,1-3H3,(H,22,25)
InChIKeyPGIQLLBQJOHMLE-UHFFFAOYSA-N
XLogP2.75
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[acetyl(methyl)amino]anilino]-N-(4-ethoxyphenyl)acetamide
CID 54810999
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide
CID 54812602
N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825570
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide
CID 54821839
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
N-(4-chlorophenyl)-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822618
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54822490
4-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-methylbenzamide
CID 54811210
3-[[2-[4-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840849
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
3-[[2-[4-[acetyl(methyl)amino]anilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54811092

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide (CID 54822163) is N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide is COCCOc1ccc(NCC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide?
The InChIKey is PGIQLLBQJOHMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-15(24)23(2)18-8-4-17(5-9-18)22-20(25)14-21-16-6-10-19(11-7-16)27-13-12-26-3/h4-11,21H,12-14H2,1-3H3,(H,22,25).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54822163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).