N-[2-[(3-ethylanilino)methyl]phenyl]acetamide

C17H20N2O — CID 66386234

IUPACN-[2-[(3-ethylanilino)methyl]phenyl]acetamide
SMILESCCc1cccc(NCc2ccccc2NC(C)=O)c1
InChIInChI=1S/C17H20N2O/c1-3-14-7-6-9-16(11-14)18-12-15-8-4-5-10-17(15)19-13(2)20/h4-11,18H,3,12H2,1-2H3,(H,19,20)
InChIKeyMTMBSHZGWDDUGL-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.82
Rot. Bonds5

About N-[2-[(3-ethylanilino)methyl]phenyl]acetamide

N-[2-[(3-ethylanilino)methyl]phenyl]acetamide (PubChem CID 66386234) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[2-[(3-ethylanilino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-ethylanilino)methyl]phenyl]acetamide
PubChem CID66386234
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[2-[(3-ethylanilino)methyl]phenyl]acetamide
SMILESCCc1cccc(NCc2ccccc2NC(C)=O)c1
InChIInChI=1S/C17H20N2O/c1-3-14-7-6-9-16(11-14)18-12-15-8-4-5-10-17(15)19-13(2)20/h4-11,18H,3,12H2,1-2H3,(H,19,20)
InChIKeyMTMBSHZGWDDUGL-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(3-hydroxyanilino)methyl]phenyl]acetamide
CID 66385038
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-[2-[[3-[acetyl(methyl)amino]anilino]methyl]phenyl]acetamide
CID 75387090
N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide
CID 66385222
N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide
CID 66417086
N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide
CID 107679126
N-(2-ethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide
CID 110877901
N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide
CID 104938218
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
2-(2-aminophenyl)-N-(3-ethylphenyl)acetamide
CID 16785552
2-(3-ethylanilino)-N-(2-fluorophenyl)acetamide
CID 28584361
N-[2-[(2,4,5-trichloroanilino)methyl]phenyl]acetamide
CID 66387225

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethylanilino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(3-ethylanilino)methyl]phenyl]acetamide (CID 66386234) is N-[2-[(3-ethylanilino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(3-ethylanilino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(3-ethylanilino)methyl]phenyl]acetamide is CCc1cccc(NCc2ccccc2NC(C)=O)c1.
What is the InChIKey of N-[2-[(3-ethylanilino)methyl]phenyl]acetamide?
The InChIKey is MTMBSHZGWDDUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-14-7-6-9-16(11-14)18-12-15-8-4-5-10-17(15)19-13(2)20/h4-11,18H,3,12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-[(3-ethylanilino)methyl]phenyl]acetamide?
N-[2-[(3-ethylanilino)methyl]phenyl]acetamide has a molecular weight of 268.36 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethylanilino)methyl]phenyl]acetamide is sourced from PubChem (CID 66386234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).