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

C38H42N4O4 — CID 17235325

IUPACN,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)CCC(=O)Nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H42N4O4/c1-37(2,3)27-11-7-25(8-12-27)35(45)41-31-19-15-29(16-20-31)39-33(43)23-24-34(44)40-30-17-21-32(22-18-30)42-36(46)26-9-13-28(14-10-26)38(4,5)6/h7-22H,23-24H2,1-6H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)
InChIKeyRHMQCZNKDNEYKQ-UHFFFAOYSA-N
MW618.78 g/mol
LogP8.14
Rot. Bonds9

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

N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide (PubChem CID 17235325) has the molecular formula C38H42N4O4 and a molecular weight of 618.78 g/mol. Its IUPAC name is N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide.

Molecular Properties

Compound NameN,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
PubChem CID17235325
Molecular FormulaC38H42N4O4
Molecular Weight618.78 g/mol
Exact Mass618.32
IUPAC NameN,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)CCC(=O)Nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H42N4O4/c1-37(2,3)27-11-7-25(8-12-27)35(45)41-31-19-15-29(16-20-31)39-33(43)23-24-34(44)40-30-17-21-32(22-18-30)42-36(46)26-9-13-28(14-10-26)38(4,5)6/h7-22H,23-24H2,1-6H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46)
InChIKeyRHMQCZNKDNEYKQ-UHFFFAOYSA-N
XLogP8.14
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.78
LogP ≤ 58.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
CID 17235324
5-[4-[(4-tert-butylbenzoyl)amino]anilino]-5-oxopentanoic acid
CID 17235034
4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635
4-tert-butyl-N-[4-[(2-cyanoacetyl)amino]phenyl]benzamide
CID 108922528
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780731
N,N'-bis[3-[(4-tert-butylbenzoyl)amino]phenyl]decanediamide
CID 17232408
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
CID 4003152
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
4-tert-butyl-N-[4-[(octanoylamino)carbamoyl]phenyl]benzamide
CID 4958813
4-tert-butyl-N-[[4-(pentanoylamino)phenyl]carbamothioyl]benzamide
CID 90932943

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide?
The IUPAC name of N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide (CID 17235325) is N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide.
What is the SMILES notation for N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide?
The canonical SMILES for N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)CCC(=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]butanediamide?
The InChIKey is RHMQCZNKDNEYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N4O4/c1-37(2,3)27-11-7-25(8-12-27)35(45)41-31-19-15-29(16-20-31)39-33(43)23-24-34(44)40-30-17-21-32(22-18-30)42-36(46)26-9-13-28(14-10-26)38(4,5)6/h7-22H,23-24H2,1-6H3,(H,39,43)(H,40,44)(H,41,45)(H,42,46).
What are the key properties of N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide?
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide has a molecular weight of 618.78 g/mol, XLogP of 8.14, 9 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]butanediamide is sourced from PubChem (CID 17235325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).