N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide

C22H28N2O2 — CID 112795398

IUPACN-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-5-18(4)24(15-19-9-7-6-8-10-19)21(25)14-23-22(26)20-12-11-16(2)17(3)13-20/h6-13,18H,5,14-15H2,1-4H3,(H,23,26)
InChIKeyYYMDXKAKIBRLAH-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.86
Rot. Bonds7

About N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 112795398) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID112795398
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-5-18(4)24(15-19-9-7-6-8-10-19)21(25)14-23-22(26)20-12-11-16(2)17(3)13-20/h6-13,18H,5,14-15H2,1-4H3,(H,23,26)
InChIKeyYYMDXKAKIBRLAH-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 78822106
N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 112995736
benzyl(butan-2-yl)carbamic acid
CID 18954164
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
2-[butan-2-yl-(3,4-dimethylbenzoyl)amino]acetic acid
CID 60829898
3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide
CID 51213384
N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 51186432
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 46432021
3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
CID 51220295
2-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]propanoic acid
CID 120523616
N-benzyl-N-butan-2-ylpentanamide
CID 78842113

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide (CID 112795398) is N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide is CCC(C)N(Cc1ccccc1)C(=O)CNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is YYMDXKAKIBRLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-18(4)24(15-19-9-7-6-8-10-19)21(25)14-23-22(26)20-12-11-16(2)17(3)13-20/h6-13,18H,5,14-15H2,1-4H3,(H,23,26).
What are the key properties of N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 352.48 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 112795398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).