N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide

C21H27N3O2 — CID 54834115

IUPACN-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NCC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C21H27N3O2/c1-4-5-12-22-21(26)17-10-7-11-18(13-17)23-14-19(25)24-20-15(2)8-6-9-16(20)3/h6-11,13,23H,4-5,12,14H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyIFLUVRQMHPZCTC-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.88
Rot. Bonds8

About N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide

N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54834115) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide
PubChem CID54834115
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NCC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C21H27N3O2/c1-4-5-12-22-21(26)17-10-7-11-18(13-17)23-14-19(25)24-20-15(2)8-6-9-16(20)3/h6-11,13,23H,4-5,12,14H2,1-3H3,(H,22,26)(H,24,25)
InChIKeyIFLUVRQMHPZCTC-UHFFFAOYSA-N
XLogP3.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54833854
N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 54834084
N-butyl-3-[[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833779
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663
N-benzyl-3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844588
N-butyl-3-[[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54833570
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54830283

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide (CID 54834115) is N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide is CCCCNC(=O)c1cccc(NCC(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is IFLUVRQMHPZCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-5-12-22-21(26)17-10-7-11-18(13-17)23-14-19(25)24-20-15(2)8-6-9-16(20)3/h6-11,13,23H,4-5,12,14H2,1-3H3,(H,22,26)(H,24,25).
What are the key properties of N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide?
N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54834115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).