1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide

C28H30N4O4 — CID 17219360

IUPAC1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=O)NCCC)cc3)cc2)cc1
InChIInChI=1S/C28H30N4O4/c1-3-17-29-25(33)19-9-13-23(14-10-19)31-27(35)21-5-7-22(8-6-21)28(36)32-24-15-11-20(12-16-24)26(34)30-18-4-2/h5-16H,3-4,17-18H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36)
InChIKeyBMWSWPBZJXXRFS-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.47
Rot. Bonds10

About 1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide (PubChem CID 17219360) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
PubChem CID17219360
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=O)NCCC)cc3)cc2)cc1
InChIInChI=1S/C28H30N4O4/c1-3-17-29-25(33)19-9-13-23(14-10-19)31-27(35)21-5-7-22(8-6-21)28(36)32-24-15-11-20(12-16-24)26(34)30-18-4-2/h5-16H,3-4,17-18H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36)
InChIKeyBMWSWPBZJXXRFS-UHFFFAOYSA-N
XLogP4.47
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
4-[[4-(4-carbamoylphenoxy)benzoyl]amino]-N-propylbenzamide
CID 56549078
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109043049
2-[[4-(propylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 17218704
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765
4-(3-methylbut-2-enoylamino)-N-propylbenzamide
CID 47312802
4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride
CID 119297917
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide (CID 17219360) is 1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide is CCCNC(=O)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=O)NCCC)cc3)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide?
The InChIKey is BMWSWPBZJXXRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-3-17-29-25(33)19-9-13-23(14-10-19)31-27(35)21-5-7-22(8-6-21)28(36)32-24-15-11-20(12-16-24)26(34)30-18-4-2/h5-16H,3-4,17-18H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36).
What are the key properties of 1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide has a molecular weight of 486.57 g/mol, XLogP of 4.47, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 17219360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).