N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide

C18H21N3O2 — CID 75387090

IUPACN-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1cccc(N(C)C(C)=O)c1
InChIInChI=1S/C18H21N3O2/c1-13(22)20-18-10-5-4-7-15(18)12-19-16-8-6-9-17(11-16)21(3)14(2)23/h4-11,19H,12H2,1-3H3,(H,20,22)
InChIKeyRENFMBJCSHAVKJ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.24
Rot. Bonds5

About N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide

N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide (PubChem CID 75387090) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide
PubChem CID75387090
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1cccc(N(C)C(C)=O)c1
InChIInChI=1S/C18H21N3O2/c1-13(22)20-18-10-5-4-7-15(18)12-19-16-8-6-9-17(11-16)21(3)14(2)23/h4-11,19H,12H2,1-3H3,(H,20,22)
InChIKeyRENFMBJCSHAVKJ-UHFFFAOYSA-N
XLogP3.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-hydroxyanilino)methyl]phenyl]acetamide
CID 66385038
N-[2-[(3-ethylanilino)methyl]phenyl]acetamide
CID 66386234
N-[3-[(4-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide
CID 86805772
N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide
CID 66385222
2-[[3-(dimethylamino)anilino]methyl]benzamide
CID 115377923
N-[3-[(3-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 86793126
N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide
CID 107679126
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide
CID 104938218
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-methylpropyl)benzamide
CID 119047722
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide (CID 75387090) is N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNc1cccc(N(C)C(C)=O)c1.
What is the InChIKey of N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide?
The InChIKey is RENFMBJCSHAVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13(22)20-18-10-5-4-7-15(18)12-19-16-8-6-9-17(11-16)21(3)14(2)23/h4-11,19H,12H2,1-3H3,(H,20,22).
What are the key properties of N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide?
N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide is sourced from PubChem (CID 75387090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).