2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C22H28N2O2 — CID 141091433

IUPAC2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)cc(C(N)=O)c1Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-4-11-24(12-5-2)22(26)20-14-16(3)13-19(21(23)25)18(20)15-17-9-7-6-8-10-17/h6-10,13-14H,4-5,11-12,15H2,1-3H3,(H2,23,25)
InChIKeyOWVXOTMYIZQHTG-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.95
Rot. Bonds8

About 2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 141091433) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID141091433
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)cc(C(N)=O)c1Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-4-11-24(12-5-2)22(26)20-14-16(3)13-19(21(23)25)18(20)15-17-9-7-6-8-10-17/h6-10,13-14H,4-5,11-12,15H2,1-3H3,(H2,23,25)
InChIKeyOWVXOTMYIZQHTG-UHFFFAOYSA-N
XLogP3.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
5-methyl-2-(methylamino)-N,N-dipropylbenzamide
CID 55082842
2-amino-N,N-dipropylbenzamide
CID 16769117
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
2-(benzenesulfonamido)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 149253003
5-(hydrazinecarbonyl)-3-N,3-N,4-tripropylbenzene-1,3-dicarboxamide
CID 150645845
5-amino-N-benzyl-2-methyl-N-propylpyridine-3-carboxamide
CID 61040072
2-amino-N-ethyl-5-methyl-N-propylbenzamide
CID 62511065
N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
CID 61348969
N-(2-chloroethyl)-2-methyl-N-propylbenzamide
CID 63392900
N-(2-aminoethyl)-2,4-dimethyl-N-propylbenzamide
CID 61349150

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 141091433) is 2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cc(C)cc(C(N)=O)c1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is OWVXOTMYIZQHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-11-24(12-5-2)22(26)20-14-16(3)13-19(21(23)25)18(20)15-17-9-7-6-8-10-17/h6-10,13-14H,4-5,11-12,15H2,1-3H3,(H2,23,25).
What are the key properties of 2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 141091433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).