N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide

C39H44N4O4 — CID 17235324

IUPACN,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)CCCC(=O)Nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H44N4O4/c1-38(2,3)28-14-10-26(11-15-28)36(46)42-32-22-18-30(19-23-32)40-34(44)8-7-9-35(45)41-31-20-24-33(25-21-31)43-37(47)27-12-16-29(17-13-27)39(4,5)6/h10-25H,7-9H2,1-6H3,(H,40,44)(H,41,45)(H,42,46)(H,43,47)
InChIKeyKLERPPAVENCYJD-UHFFFAOYSA-N
MW632.81 g/mol
LogP8.53
Rot. Bonds10

About N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide

N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide (PubChem CID 17235324) has the molecular formula C39H44N4O4 and a molecular weight of 632.81 g/mol. Its IUPAC name is N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
PubChem CID17235324
Molecular FormulaC39H44N4O4
Molecular Weight632.81 g/mol
Exact Mass632.34
IUPAC NameN,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)CCCC(=O)Nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C39H44N4O4/c1-38(2,3)28-14-10-26(11-15-28)36(46)42-32-22-18-30(19-23-32)40-34(44)8-7-9-35(45)41-31-20-24-33(25-21-31)43-37(47)27-12-16-29(17-13-27)39(4,5)6/h10-25H,7-9H2,1-6H3,(H,40,44)(H,41,45)(H,42,46)(H,43,47)
InChIKeyKLERPPAVENCYJD-UHFFFAOYSA-N
XLogP8.53
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 58.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(4-tert-butylbenzoyl)amino]anilino]-5-oxopentanoic acid
CID 17235034
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
N,N'-bis[3-[(4-tert-butylbenzoyl)amino]phenyl]decanediamide
CID 17232408
4-tert-butyl-N-[4-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922528
N-(4-tert-butylphenyl)dodecanamide
CID 118504435
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
4-tert-butyl-N-[4-[(octanoylamino)carbamoyl]phenyl]benzamide
CID 4958813
4-tert-butyl-N-[[4-(pentanoylamino)phenyl]carbamothioyl]benzamide
CID 90932943
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide?
The IUPAC name of N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide (CID 17235324) is N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide.
What is the SMILES notation for N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide?
The canonical SMILES for N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)CCCC(=O)Nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide?
The InChIKey is KLERPPAVENCYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44N4O4/c1-38(2,3)28-14-10-26(11-15-28)36(46)42-32-22-18-30(19-23-32)40-34(44)8-7-9-35(45)41-31-20-24-33(25-21-31)43-37(47)27-12-16-29(17-13-27)39(4,5)6/h10-25H,7-9H2,1-6H3,(H,40,44)(H,41,45)(H,42,46)(H,43,47).
What are the key properties of N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide?
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide has a molecular weight of 632.81 g/mol, XLogP of 8.53, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide is sourced from PubChem (CID 17235324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).