2-(N-benzylanilino)-N-(3-methylbutyl)acetamide

C20H26N2O — CID 109005918

IUPAC2-(N-benzylanilino)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-17(2)13-14-21-20(23)16-22(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h3-12,17H,13-16H2,1-2H3,(H,21,23)
InChIKeyMRWKHJNPMVOVDX-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.86
Rot. Bonds8

About 2-(N-benzylanilino)-N-(3-methylbutyl)acetamide

2-(N-benzylanilino)-N-(3-methylbutyl)acetamide (PubChem CID 109005918) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(N-benzylanilino)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(N-benzylanilino)-N-(3-methylbutyl)acetamide
PubChem CID109005918
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-(N-benzylanilino)-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-17(2)13-14-21-20(23)16-22(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h3-12,17H,13-16H2,1-2H3,(H,21,23)
InChIKeyMRWKHJNPMVOVDX-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-benzylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994706
N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide
CID 78825845
3-[benzyl(ethyl)amino]-N-(3-methylbutyl)propanamide
CID 109023063
2-(N-benzyl-4-methoxyanilino)-N-propylacetamide
CID 18166490
N-benzyl-2,2-dimethyl-N'-(3-methylbutyl)-N-phenylpropanediamide
CID 108966324
2-[benzyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(3-methylbutyl)acetamide
CID 3544274
(2S)-2-[[2-(N-benzylanilino)acetyl]amino]-N-ethylbutanamide
CID 155963661
2-(N-benzylanilino)-N-(4-methylphenyl)acetamide
CID 109007221
N'-(3-methylbutyl)-N-(3-phenylpropyl)propanediamide
CID 108951176
N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide
CID 133148950
2-(N-benzylanilino)-N,N-diethylacetamide
CID 109005016
N-[3-(methylamino)propyl]-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
CID 119433679

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzylanilino)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(N-benzylanilino)-N-(3-methylbutyl)acetamide (CID 109005918) is 2-(N-benzylanilino)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(N-benzylanilino)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(N-benzylanilino)-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(N-benzylanilino)-N-(3-methylbutyl)acetamide?
The InChIKey is MRWKHJNPMVOVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-17(2)13-14-21-20(23)16-22(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h3-12,17H,13-16H2,1-2H3,(H,21,23).
What are the key properties of 2-(N-benzylanilino)-N-(3-methylbutyl)acetamide?
2-(N-benzylanilino)-N-(3-methylbutyl)acetamide has a molecular weight of 310.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzylanilino)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 109005918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).