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

C24H25N3O3 — CID 54821839

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CNc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-18(28)27(2)22-12-8-21(9-13-22)26-24(29)16-25-20-10-14-23(15-11-20)30-17-19-6-4-3-5-7-19/h3-15,25H,16-17H2,1-2H3,(H,26,29)
InChIKeyHFTDGCCJXLHBST-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.30
Rot. Bonds8

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

N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide (PubChem CID 54821839) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide
PubChem CID54821839
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)CNc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-18(28)27(2)22-12-8-21(9-13-22)26-24(29)16-25-20-10-14-23(15-11-20)30-17-19-6-4-3-5-7-19/h3-15,25H,16-17H2,1-2H3,(H,26,29)
InChIKeyHFTDGCCJXLHBST-UHFFFAOYSA-N
XLogP4.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.30
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

2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303
N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825570
2-[4-[acetyl(methyl)amino]anilino]-N-(4-ethoxyphenyl)acetamide
CID 54810999
N-[4-[acetyl(methyl)amino]phenyl]-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822163
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-methoxyanilino)acetamide
CID 54812602
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 37221073
2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 108994541
N-naphthalen-2-yl-2-(4-phenylmethoxyanilino)acetamide
CID 54821756
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54840386
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832179
2-[4-[acetyl(methyl)amino]anilino]-N-(4-bromophenyl)acetamide
CID 54811000

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide (CID 54821839) is N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide is CC(=O)N(C)c1ccc(NC(=O)CNc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide?
The InChIKey is HFTDGCCJXLHBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-18(28)27(2)22-12-8-21(9-13-22)26-24(29)16-25-20-10-14-23(15-11-20)30-17-19-6-4-3-5-7-19/h3-15,25H,16-17H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide has a molecular weight of 403.48 g/mol, XLogP of 4.30, 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-(4-phenylmethoxyanilino)acetamide is sourced from PubChem (CID 54821839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).