3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide

C22H27N3O3 — CID 91500084

IUPAC3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide
SMILESCCCNC(=O)c1cc(C(N)=O)cc(C(=O)N(CCC)Cc2ccccc2)c1
InChIInChI=1S/C22H27N3O3/c1-3-10-24-21(27)18-12-17(20(23)26)13-19(14-18)22(28)25(11-4-2)15-16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H2,23,26)(H,24,27)
InChIKeyOXEWUWXFYMKVHT-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.98
Rot. Bonds9

About 3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide

3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide (PubChem CID 91500084) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide
PubChem CID91500084
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide
SMILESCCCNC(=O)c1cc(C(N)=O)cc(C(=O)N(CCC)Cc2ccccc2)c1
InChIInChI=1S/C22H27N3O3/c1-3-10-24-21(27)18-12-17(20(23)26)13-19(14-18)22(28)25(11-4-2)15-16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H2,23,26)(H,24,27)
InChIKeyOXEWUWXFYMKVHT-UHFFFAOYSA-N
XLogP2.98
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-benzyl-3-N-ethyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050312
N-benzyl-3,5-dibromo-N-propylbenzamide
CID 107980144
1-N,3-N-dipropyl-3-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,3-dicarboxamide;hydrochloride
CID 69321298
5-acetyl-3-N-propylbenzene-1,3-dicarboxamide
CID 126540698
1-N,3-N,3-N-tris-decylbenzene-1,3,5-tricarboxamide
CID 121284589
3-N-[(2R,3S)-3-amino-2-hydroxy-4-(4-hydroxyphenyl)butyl]-3-N-benzyl-1-N,1-N-dipropylbenzene-1,3,5-tricarboxamide
CID 69319117
N-benzyl-3-bromo-4-methyl-N-propylbenzamide
CID 81458013
1-N-[(2S,3R,4R,5R)-5-benzamido-3,4-dihydroxy-1-phenylhexan-2-yl]-3-N,3-N-dipropylbenzene-1,3,5-tricarboxamide
CID 10188968
N-benzyl-3-fluoro-N-propylbenzamide
CID 134028425
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide
CID 43587245
4-N-[3-[benzyl(methyl)amino]propyl]benzene-1,4-dicarboxamide
CID 41306684

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide?
The IUPAC name of 3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide (CID 91500084) is 3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide?
The canonical SMILES for 3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide is CCCNC(=O)c1cc(C(N)=O)cc(C(=O)N(CCC)Cc2ccccc2)c1.
What is the InChIKey of 3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide?
The InChIKey is OXEWUWXFYMKVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-10-24-21(27)18-12-17(20(23)26)13-19(14-18)22(28)25(11-4-2)15-16-8-6-5-7-9-16/h5-9,12-14H,3-4,10-11,15H2,1-2H3,(H2,23,26)(H,24,27).
What are the key properties of 3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide?
3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N,3-N-dipropylbenzene-1,3,5-tricarboxamide is sourced from PubChem (CID 91500084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).