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

C21H25N3O3 — CID 54825984

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)Nc1ccc(N(C)C(C)=O)cc1
InChIInChI=1S/C21H25N3O3/c1-15(2)14-27-20-8-6-5-7-19(20)22-13-21(26)23-17-9-11-18(12-10-17)24(4)16(3)25/h5-12,22H,1,13-14H2,2-4H3,(H,23,26)
InChIKeyAZIWBCAOTNQPAG-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.67
Rot. Bonds8

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

N-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide (PubChem CID 54825984) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
PubChem CID54825984
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
SMILESC=C(C)COc1ccccc1NCC(=O)Nc1ccc(N(C)C(C)=O)cc1
InChIInChI=1S/C21H25N3O3/c1-15(2)14-27-20-8-6-5-7-19(20)22-13-21(26)23-17-9-11-18(12-10-17)24(4)16(3)25/h5-12,22H,1,13-14H2,2-4H3,(H,23,26)
InChIKeyAZIWBCAOTNQPAG-UHFFFAOYSA-N
XLogP3.67
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54826156
N-(3,4-dimethylphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825918
2-[2-(2-methylprop-2-enoxy)anilino]-N-(4-prop-2-enoxyphenyl)acetamide
CID 54825856
2-(2-ethoxyanilino)-N-[4-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54817171
N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54826157
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
N-(2-chlorophenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825885
2-(2-chloroanilino)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810416
2-[2-(2-methylprop-2-enoxy)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54826186
2-[2-(2-methylprop-2-enoxy)anilino]-N-(2-phenylmethoxyphenyl)acetamide
CID 54825790
N,N-dimethyl-3-[3-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54825729
2-[2-(2-ethoxyethoxy)anilino]-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54827379

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide (CID 54825984) is N-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide is C=C(C)COc1ccccc1NCC(=O)Nc1ccc(N(C)C(C)=O)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
The InChIKey is AZIWBCAOTNQPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15(2)14-27-20-8-6-5-7-19(20)22-13-21(26)23-17-9-11-18(12-10-17)24(4)16(3)25/h5-12,22H,1,13-14H2,2-4H3,(H,23,26).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-[2-(2-methylprop-2-enoxy)anilino]acetamide has a molecular weight of 367.45 g/mol, XLogP of 3.67, 8 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-[2-(2-methylprop-2-enoxy)anilino]acetamide is sourced from PubChem (CID 54825984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).