(2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide

C18H25N5O3 — CID 51950558

IUPAC(2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide
SMILESCC(C)C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)N(C)C
InChIInChI=1S/C18H25N5O3/c1-12(2)11-15(18(26)22(3)4)19-16(24)9-10-23-17(25)13-7-5-6-8-14(13)20-21-23/h5-8,12,15H,9-11H2,1-4H3,(H,19,24)/t15-/m1/s1
InChIKeyBXJWAPDHRJCZID-OAHLLOKOSA-N
MW359.43 g/mol
LogP0.80
Rot. Bonds7

About (2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide

(2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide (PubChem CID 51950558) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide.

Molecular Properties

Compound Name(2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide
PubChem CID51950558
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name(2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide
SMILESCC(C)C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)N(C)C
InChIInChI=1S/C18H25N5O3/c1-12(2)11-15(18(26)22(3)4)19-16(24)9-10-23-17(25)13-7-5-6-8-14(13)20-21-23/h5-8,12,15H,9-11H2,1-4H3,(H,19,24)/t15-/m1/s1
InChIKeyBXJWAPDHRJCZID-OAHLLOKOSA-N
XLogP0.80
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoate
CID 39309806
N-[1-(3,4-difluorophenyl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 46649392
2-methyl-N-[2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]ethyl]propanamide
CID 39436419
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 94798288
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 71827903
(2S)-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]propanoic acid
CID 6356856
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39437289
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 124844233
N-(2-amino-1-cyclopropylethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 119613467
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 39498617
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide
CID 134061354
N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 51265252

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide?
The IUPAC name of (2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide (CID 51950558) is (2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide.
What is the SMILES notation for (2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide?
The canonical SMILES for (2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide is CC(C)C[C@@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)N(C)C.
What is the InChIKey of (2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide?
The InChIKey is BXJWAPDHRJCZID-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12(2)11-15(18(26)22(3)4)19-16(24)9-10-23-17(25)13-7-5-6-8-14(13)20-21-23/h5-8,12,15H,9-11H2,1-4H3,(H,19,24)/t15-/m1/s1.
What are the key properties of (2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide?
(2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide has a molecular weight of 359.43 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N,4-trimethyl-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]pentanamide is sourced from PubChem (CID 51950558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).