2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide

C17H23N5O2 — CID 90652831

IUPAC2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
SMILESO=C(CN1CCOCC1)NC(CCn1cncn1)c1ccccc1
InChIInChI=1S/C17H23N5O2/c23-17(12-21-8-10-24-11-9-21)20-16(15-4-2-1-3-5-15)6-7-22-14-18-13-19-22/h1-5,13-14,16H,6-12H2,(H,20,23)
InChIKeyNYHBFAATYQVMPW-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.86
Rot. Bonds7

About 2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide

2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide (PubChem CID 90652831) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
PubChem CID90652831
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
SMILESO=C(CN1CCOCC1)NC(CCn1cncn1)c1ccccc1
InChIInChI=1S/C17H23N5O2/c23-17(12-21-8-10-24-11-9-21)20-16(15-4-2-1-3-5-15)6-7-22-14-18-13-19-22/h1-5,13-14,16H,6-12H2,(H,20,23)
InChIKeyNYHBFAATYQVMPW-UHFFFAOYSA-N
XLogP0.86
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99974724
2-indazol-1-yl-N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 99999473
2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 75681051
2-oxo-N-[(1S)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 126445618
3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 43211205
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 96575326
3-fluoro-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]pyridine-4-carboxamide
CID 90647997
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 99992535
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 91775636
N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94198507
N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 138809256
1-phenyl-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 4913132

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide (CID 90652831) is 2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide is O=C(CN1CCOCC1)NC(CCn1cncn1)c1ccccc1.
What is the InChIKey of 2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide?
The InChIKey is NYHBFAATYQVMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-17(12-21-8-10-24-11-9-21)20-16(15-4-2-1-3-5-15)6-7-22-14-18-13-19-22/h1-5,13-14,16H,6-12H2,(H,20,23).
What are the key properties of 2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide?
2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[1-phenyl-3-(1,2,4-triazol-1-yl)propyl]acetamide is sourced from PubChem (CID 90652831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).