3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide

C19H19N5O3 — CID 36609911

IUPAC3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C19H19N5O3/c20-17(25)10-11-23(12-14-6-2-1-3-7-14)18(26)13-24-19(27)15-8-4-5-9-16(15)21-22-24/h1-9H,10-13H2,(H2,20,25)
InChIKeyLHXNKKKPIIBPIJ-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.70
Rot. Bonds7

About 3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide

3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide (PubChem CID 36609911) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide
PubChem CID36609911
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)Cn1nnc2ccccc2c1=O
InChIInChI=1S/C19H19N5O3/c20-17(25)10-11-23(12-14-6-2-1-3-7-14)18(26)13-24-19(27)15-8-4-5-9-16(15)21-22-24/h1-9H,10-13H2,(H2,20,25)
InChIKeyLHXNKKKPIIBPIJ-UHFFFAOYSA-N
XLogP0.70
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanoethyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-phenylacetamide
CID 38934561
N-(2-aminoethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-phenylethyl)propanamide
CID 120885294
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879212
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 17494264
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27795536
2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
3-[benzyl-(2-quinolin-2-ylsulfanylacetyl)amino]propanamide
CID 41165036
2-[carboxymethyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]acetic acid
CID 63645780
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
CID 28642443
N-cyclopropyl-N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 39533398

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide (CID 36609911) is 3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide is NC(=O)CCN(Cc1ccccc1)C(=O)Cn1nnc2ccccc2c1=O.
What is the InChIKey of 3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide?
The InChIKey is LHXNKKKPIIBPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c20-17(25)10-11-23(12-14-6-2-1-3-7-14)18(26)13-24-19(27)15-8-4-5-9-16(15)21-22-24/h1-9H,10-13H2,(H2,20,25).
What are the key properties of 3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide?
3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide has a molecular weight of 365.39 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 36609911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).