(2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide

C19H20N4O — CID 99855935

IUPAC(2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide
SMILESC[C@@H](C(=O)N[C@@H](Cn1cncn1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-15(16-8-4-2-5-9-16)19(24)22-18(12-23-14-20-13-21-23)17-10-6-3-7-11-17/h2-11,13-15,18H,12H2,1H3,(H,22,24)/t15-,18+/m1/s1
InChIKeyYOMNFPCRHVCXCG-QAPCUYQASA-N
MW320.40 g/mol
LogP2.94
Rot. Bonds6

About (2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide

(2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide (PubChem CID 99855935) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide
PubChem CID99855935
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide
SMILESC[C@@H](C(=O)N[C@@H](Cn1cncn1)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-15(16-8-4-2-5-9-16)19(24)22-18(12-23-14-20-13-21-23)17-10-6-3-7-11-17/h2-11,13-15,18H,12H2,1H3,(H,22,24)/t15-,18+/m1/s1
InChIKeyYOMNFPCRHVCXCG-QAPCUYQASA-N
XLogP2.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]carbamoyl]pyridine-2-carboxylic acid
CID 146128301
2,6-dimethyl-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]pyridine-3-carboxamide
CID 56827245
2-cyclohexylidene-N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 95341586
1-(3-chloro-4-methylphenyl)-3-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]urea
CID 51135005
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 91775636
3-acetamido-4-methyl-N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide
CID 52514812
cis-(1S,2R)-2-(2-methylphenyl)-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 97072754
3-acetamido-4-methyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]benzamide
CID 52514811
N-(3-chloro-4-methylphenyl)-N'-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]oxamide
CID 97070868
cis-(1S,2R)-2-(2-methylphenyl)-N-[(1S)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]cyclopropane-1-carboxamide
CID 98799294
2,4-diphenyl-1,5-bis(1,2,4-triazol-1-yl)pentan-3-one
CID 174783039
2-phenyl-3-(1,2,4-triazol-1-yl)propanoic acid
CID 63073894

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide (CID 99855935) is (2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide is C[C@@H](C(=O)N[C@@H](Cn1cncn1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide?
The InChIKey is YOMNFPCRHVCXCG-QAPCUYQASA-N. The full InChI is InChI=1S/C19H20N4O/c1-15(16-8-4-2-5-9-16)19(24)22-18(12-23-14-20-13-21-23)17-10-6-3-7-11-17/h2-11,13-15,18H,12H2,1H3,(H,22,24)/t15-,18+/m1/s1.
What are the key properties of (2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide?
(2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide has a molecular weight of 320.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-N-[(1R)-1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 99855935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).