4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide

C21H26N4O3 — CID 54837212

IUPAC4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-5-19(26)23-18-12-10-16(11-13-18)22-14-20(27)24-17-8-6-15(7-9-17)21(28)25(2)3/h6-13,22H,4-5,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNMTFXKBVGHATQD-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.18
Rot. Bonds8

About 4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide

4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 54837212) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID54837212
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-5-19(26)23-18-12-10-16(11-13-18)22-14-20(27)24-17-8-6-15(7-9-17)21(28)25(2)3/h6-13,22H,4-5,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNMTFXKBVGHATQD-UHFFFAOYSA-N
XLogP3.18
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54840845
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736
N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837141
N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide
CID 54809172
N,N-dimethyl-4-(octanoylamino)benzamide
CID 17231205
N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836956
4-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54830298
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840537
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
4-[[2-(butylamino)acetyl]amino]-N,N-dimethylbenzamide
CID 54815422
N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820375

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide (CID 54837212) is 4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide is CCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is NMTFXKBVGHATQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-5-19(26)23-18-12-10-16(11-13-18)22-14-20(27)24-17-8-6-15(7-9-17)21(28)25(2)3/h6-13,22H,4-5,14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 54837212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).