N-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide

C19H20N4O — CID 3539070

IUPACN-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N4O/c24-19(13-23-15-20-14-22-23)21-12-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,14-15,18H,11-13H2,(H,21,24)
InChIKeyFSIZSAIRFQEDIM-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.62
Rot. Bonds7

About N-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide

N-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 3539070) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID3539070
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N4O/c24-19(13-23-15-20-14-22-23)21-12-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,14-15,18H,11-13H2,(H,21,24)
InChIKeyFSIZSAIRFQEDIM-UHFFFAOYSA-N
XLogP2.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(tetrazol-1-yl)acetamide
CID 2166167
N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide
CID 3299775
N-(3-Phenylpropyl)-1H-1,2,4-triazole-1-acetamide
CID 3731870
2-(3-nitro-1,2,4-triazol-1-yl)-N-(2-phenylethyl)acetamide
CID 690247
N-(1-naphthylmethyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3631677
N-[(1S)-1-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 11957302
N-(2-phenylcyclopropyl)-4-(1H-1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 45269947
1-(4-Benzylpiperidin-1-yl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
CID 60155645
N-(2,5-difluorobenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3836485
(2S,4R)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)propanoyl]pyrrolidine-2-carboxamide
CID 165139614
(2S,4R)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 169551215
N-(4-methylbenzyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 3457277

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide (CID 3539070) is N-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is FSIZSAIRFQEDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(13-23-15-20-14-22-23)21-12-11-18(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,14-15,18H,11-13H2,(H,21,24).
What are the key properties of N-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 320.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 3539070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).