N-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide

C20H21N5O2 — CID 99825369

IUPACN-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C20H21N5O2/c26-19(11-12-21-20(27)13-16-7-3-1-4-8-16)22-18-15-25(24-23-18)14-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,21,27)(H,22,26)
InChIKeyHUUKEMLLSUAJLR-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.01
Rot. Bonds8

About N-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide

N-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 99825369) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide
PubChem CID99825369
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide
SMILESO=C(Cc1ccccc1)NCCC(=O)Nc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C20H21N5O2/c26-19(11-12-21-20(27)13-16-7-3-1-4-8-16)22-18-15-25(24-23-18)14-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,21,27)(H,22,26)
InChIKeyHUUKEMLLSUAJLR-UHFFFAOYSA-N
XLogP2.01
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 6458316
2-(2-fluorophenyl)-N-(2-phenyl-2H-1,2,3-triazol-4-yl)acetamide
CID 75398271
US10246426, Example 1
CID 118962038
US10246426, Example 54
CID 118962041
US10246426, Example 5
CID 118962042
US10246426, Example 66
CID 118962045
US10246426, Example 24
CID 118962221
3-(2,5-dihydro-1H-pyrrol-1-ylmethyl)-N-(1-propyl-1H-1,2,3-triazol-4-yl)benzamide
CID 50961537
N-(1-benzyltriazol-4-yl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxamide
CID 177638484
4-[[methyl-[(2S)-4-(methylamino)-4-oxobutan-2-yl]amino]methyl]-N-(2-methyltriazol-4-yl)benzamide
CID 95128120
3-[1-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]-2H-pyridin-4-yl]propanamide
CID 122441034
3-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide
CID 122441037

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide (CID 99825369) is N-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide is O=C(Cc1ccccc1)NCCC(=O)Nc1cn(Cc2ccccc2)nn1.
What is the InChIKey of N-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is HUUKEMLLSUAJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19(11-12-21-20(27)13-16-7-3-1-4-8-16)22-18-15-25(24-23-18)14-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H,21,27)(H,22,26).
What are the key properties of N-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide?
N-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 363.42 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyltriazol-4-yl)-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 99825369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).