N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide

C22H26N4O4 — CID 17232267

IUPACN,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CCC(=O)Nc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C22H26N4O4/c1-25(2)21(29)15-7-5-9-17(13-15)23-19(27)11-12-20(28)24-18-10-6-8-16(14-18)22(30)26(3)4/h5-10,13-14H,11-12H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyHLUKMCMCEGZEGM-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.45
Rot. Bonds7

About N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide

N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide (PubChem CID 17232267) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide.

Molecular Properties

Compound NameN,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
PubChem CID17232267
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CCC(=O)Nc2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C22H26N4O4/c1-25(2)21(29)15-7-5-9-17(13-15)23-19(27)11-12-20(28)24-18-10-6-8-16(14-18)22(30)26(3)4/h5-10,13-14H,11-12H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyHLUKMCMCEGZEGM-UHFFFAOYSA-N
XLogP2.45
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]amino]benzamide
CID 39295648
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 32908676
N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
CID 54819069
3-[[2-(4-chlorophenyl)acetyl]amino]-N,N-dimethylbenzamide
CID 17231829
3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
CID 119701572
methyl 4-[[3-(dimethylcarbamoyl)phenyl]carbamothioylamino]-4-oxobutanoate
CID 17232095
3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 29331343
N,N-dimethyl-3-[[2-(3-methylbutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 75374320
3-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 29331739
N,N-dimethyl-3-[(2-pyrazol-1-ylacetyl)amino]benzamide
CID 33366231
N,N-dimethyl-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 32849543
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide?
The IUPAC name of N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide (CID 17232267) is N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide.
What is the SMILES notation for N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide?
The canonical SMILES for N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide is CN(C)C(=O)c1cccc(NC(=O)CCC(=O)Nc2cccc(C(=O)N(C)C)c2)c1.
What is the InChIKey of N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide?
The InChIKey is HLUKMCMCEGZEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-25(2)21(29)15-7-5-9-17(13-15)23-19(27)11-12-20(28)24-18-10-6-8-16(14-18)22(30)26(3)4/h5-10,13-14H,11-12H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide?
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide has a molecular weight of 410.47 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide is sourced from PubChem (CID 17232267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).