N-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide

C21H25N5O2 — CID 5278778

IUPACN-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C(Cc1ccccc1)C(=O)NCn1nnc2ccccc21
InChIInChI=1S/C21H25N5O2/c1-15(2)21(28)25(3)19(13-16-9-5-4-6-10-16)20(27)22-14-26-18-12-8-7-11-17(18)23-24-26/h4-12,15,19H,13-14H2,1-3H3,(H,22,27)
InChIKeyLWIBDODGXBGNQK-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.23
Rot. Bonds7

About N-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide

N-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide (PubChem CID 5278778) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide
PubChem CID5278778
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C(Cc1ccccc1)C(=O)NCn1nnc2ccccc21
InChIInChI=1S/C21H25N5O2/c1-15(2)21(28)25(3)19(13-16-9-5-4-6-10-16)20(27)22-14-26-18-12-8-7-11-17(18)23-24-26/h4-12,15,19H,13-14H2,1-3H3,(H,22,27)
InChIKeyLWIBDODGXBGNQK-UHFFFAOYSA-N
XLogP2.23
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide 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

N-(1H-Benzotriazol-1-ylmethyl)benzamide
CID 726179
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(m-tolyl)acetamide
CID 863021
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(p-tolyl)acetamide
CID 733624
N-(4-phenylbutyl)-1H-benzo[d][1,2,3]triazole-1-carboxamide
CID 86663116
Cmdc.202100576, 19d
CID 156907378
2-(1H-1,2,3-benzotriazol-1-yl)-N-benzylacetamide
CID 733623
2-(1H-1,2,3-benzotriazol-1-yl)-N-(2-methylphenyl)acetamide
CID 863036
2-(4-Benzotriazol-1-yl-piperidin-1-yl)-N-o-tolyl-acetamide
CID 1469608
2-[(2-Benzotriazol-1-yl-acetyl)-butyl-amino]-N-(2-methoxy-ethyl)-2-phenyl-acetamide
CID 3212034
2-(benzotriazol-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 3212217
(R)-1-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)piperazin-2-one
CID 54585462
3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]-N-cyclohexylbenzamide
CID 71456813

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide?
The IUPAC name of N-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide (CID 5278778) is N-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)C(Cc1ccccc1)C(=O)NCn1nnc2ccccc21.
What is the InChIKey of N-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide?
The InChIKey is LWIBDODGXBGNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15(2)21(28)25(3)19(13-16-9-5-4-6-10-16)20(27)22-14-26-18-12-8-7-11-17(18)23-24-26/h4-12,15,19H,13-14H2,1-3H3,(H,22,27).
What are the key properties of N-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide?
N-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide has a molecular weight of 379.46 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzotriazol-1-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 5278778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).