3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide

C13H19N3O2 — CID 119382339

IUPAC3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)NCCN)c1
InChIInChI=1S/C13H19N3O2/c1-2-7-15-12(17)10-4-3-5-11(9-10)13(18)16-8-6-14/h3-5,9H,2,6-8,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyUMHYWXCACFYWOE-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.51
Rot. Bonds6

About 3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide

3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide (PubChem CID 119382339) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
PubChem CID119382339
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
SMILESCCCNC(=O)c1cccc(C(=O)NCCN)c1
InChIInChI=1S/C13H19N3O2/c1-2-7-15-12(17)10-4-3-5-11(9-10)13(18)16-8-6-14/h3-5,9H,2,6-8,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyUMHYWXCACFYWOE-UHFFFAOYSA-N
XLogP0.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
1-N,3-N,5-N-tris(2-aminoethyl)benzene-1,3,5-tricarboxamide
CID 23569595
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119585729
N-(2-aminoethyl)benzamide;ethane
CID 143976252
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide (CID 119382339) is 3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide is CCCNC(=O)c1cccc(C(=O)NCCN)c1.
What is the InChIKey of 3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide?
The InChIKey is UMHYWXCACFYWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-7-15-12(17)10-4-3-5-11(9-10)13(18)16-8-6-14/h3-5,9H,2,6-8,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide?
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 119382339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).