N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide

C13H19N3O2 — CID 39162903

IUPACN-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide
SMILESCCC(=O)NCc1ccc(C(=O)NCCN)cc1
InChIInChI=1S/C13H19N3O2/c1-2-12(17)16-9-10-3-5-11(6-4-10)13(18)15-8-7-14/h3-6H,2,7-9,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyMSYTYZYSDBLREH-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.40
Rot. Bonds6

About N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide

N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide (PubChem CID 39162903) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide
PubChem CID39162903
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide
SMILESCCC(=O)NCc1ccc(C(=O)NCCN)cc1
InChIInChI=1S/C13H19N3O2/c1-2-12(17)16-9-10-3-5-11(6-4-10)13(18)15-8-7-14/h3-6H,2,7-9,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyMSYTYZYSDBLREH-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
N-(2-aminoethyl)-4-propylbenzamide;hydrochloride
CID 119384783
N-[(4-acetylphenyl)methyl]propanamide
CID 20825268
acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide
CID 67918850
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-4-methylbenzamide
CID 82097442
N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119384153
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
N-(2-aminoethyl)benzamide;ethane
CID 143976252
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide
CID 82097440
N-(3-aminopropyl)-4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]methyl]benzamide
CID 82097491
N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride
CID 119383699

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide?
The IUPAC name of N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide (CID 39162903) is N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide?
The canonical SMILES for N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide is CCC(=O)NCc1ccc(C(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide?
The InChIKey is MSYTYZYSDBLREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-12(17)16-9-10-3-5-11(6-4-10)13(18)15-8-7-14/h3-6H,2,7-9,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide?
N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide is sourced from PubChem (CID 39162903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).