N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide

C23H28N4O4 — CID 4943067

IUPACN,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C23H28N4O4/c1-26(2)22(30)16-10-5-7-12-18(16)24-20(28)14-9-15-21(29)25-19-13-8-6-11-17(19)23(31)27(3)4/h5-8,10-13H,9,14-15H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyICFOFFKBUUAJSB-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.84
Rot. Bonds8

About N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide

N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide (PubChem CID 4943067) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
PubChem CID4943067
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
SMILESCN(C)C(=O)c1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C23H28N4O4/c1-26(2)22(30)16-10-5-7-12-18(16)24-20(28)14-9-15-21(29)25-19-13-8-6-11-17(19)23(31)27(3)4/h5-8,10-13H,9,14-15H2,1-4H3,(H,24,28)(H,25,29)
InChIKeyICFOFFKBUUAJSB-UHFFFAOYSA-N
XLogP2.84
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
CID 39231388
benzyl N-[4-[2-(dimethylcarbamoyl)anilino]-4-oxobutyl]carbamate
CID 55872499
N-[2-(2-aminoethylcarbamoyl)phenyl]-N',N'-dimethylpentanediamide
CID 120603511
2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
CID 81075404
5-[2-[ethyl(phenyl)carbamoyl]anilino]-5-oxopentanoic acid
CID 17186685
2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
CID 103154460
2-formamido-N,N-dimethylbenzamide
CID 64992505
2-[[2-(4-bromophenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 4942499
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196582
N,N-dimethyl-2-(phenylcarbamothioylamino)benzamide
CID 4942406
2-(hexacosanoylamino)benzoic acid
CID 123304158

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide?
The IUPAC name of N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide (CID 4943067) is N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide.
What is the SMILES notation for N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide?
The canonical SMILES for N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide is CN(C)C(=O)c1ccccc1NC(=O)CCCC(=O)Nc1ccccc1C(=O)N(C)C.
What is the InChIKey of N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide?
The InChIKey is ICFOFFKBUUAJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-26(2)22(30)16-10-5-7-12-18(16)24-20(28)14-9-15-21(29)25-19-13-8-6-11-17(19)23(31)27(3)4/h5-8,10-13H,9,14-15H2,1-4H3,(H,24,28)(H,25,29).
What are the key properties of N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide?
N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide has a molecular weight of 424.50 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide is sourced from PubChem (CID 4943067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).