N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide

C23H28N4O4 — CID 46762249

IUPACN,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
SMILESCC(=O)N(C)c1cccc(NC(=O)CCCC(=O)Nc2cccc(N(C)C(C)=O)c2)c1
InChIInChI=1S/C23H28N4O4/c1-16(28)26(3)20-10-5-8-18(14-20)24-22(30)12-7-13-23(31)25-19-9-6-11-21(15-19)27(4)17(2)29/h5-6,8-11,14-15H,7,12-13H2,1-4H3,(H,24,30)(H,25,31)
InChIKeyRIXVECLEDVNKOA-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.40
Rot. Bonds8

About N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide

N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide (PubChem CID 46762249) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
PubChem CID46762249
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
SMILESCC(=O)N(C)c1cccc(NC(=O)CCCC(=O)Nc2cccc(N(C)C(C)=O)c2)c1
InChIInChI=1S/C23H28N4O4/c1-16(28)26(3)20-10-5-8-18(14-20)24-22(30)12-7-13-23(31)25-19-9-6-11-21(15-19)27(4)17(2)29/h5-6,8-11,14-15H,7,12-13H2,1-4H3,(H,24,30)(H,25,31)
InChIKeyRIXVECLEDVNKOA-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[acetyl(methyl)amino]phenyl]-3-phenylpropanamide
CID 46761793
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 46761852
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide
CID 46761828
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740
N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 118788732
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
N-[3-[acetyl(methyl)amino]phenyl]-2-chlorobenzamide
CID 46761791
N-[3-[acetyl(methyl)amino]phenyl]-4-fluorobenzamide
CID 46761784
5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid
CID 60941960
N-[3-[acetyl(methyl)amino]phenyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 46761825
N-[3-[acetyl(methyl)amino]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 46761769

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide?
The IUPAC name of N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide (CID 46762249) is N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide.
What is the SMILES notation for N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide?
The canonical SMILES for N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide is CC(=O)N(C)c1cccc(NC(=O)CCCC(=O)Nc2cccc(N(C)C(C)=O)c2)c1.
What is the InChIKey of N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide?
The InChIKey is RIXVECLEDVNKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-16(28)26(3)20-10-5-8-18(14-20)24-22(30)12-7-13-23(31)25-19-9-6-11-21(15-19)27(4)17(2)29/h5-6,8-11,14-15H,7,12-13H2,1-4H3,(H,24,30)(H,25,31).
What are the key properties of N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide?
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide has a molecular weight of 424.50 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide is sourced from PubChem (CID 46762249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).