N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide

C17H21N5O2 — CID 146131664

IUPACN-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide
SMILESCCNC(=O)CCC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C17H21N5O2/c1-2-18-16(23)8-9-17(24)21-10-14(11-21)22-12-15(19-20-22)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,18,23)
InChIKeyKVZNULPMADVWNM-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.24
Rot. Bonds6

About N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide

N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide (PubChem CID 146131664) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide.

Molecular Properties

Compound NameN-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide
PubChem CID146131664
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide
SMILESCCNC(=O)CCC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C17H21N5O2/c1-2-18-16(23)8-9-17(24)21-10-14(11-21)22-12-15(19-20-22)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,18,23)
InChIKeyKVZNULPMADVWNM-UHFFFAOYSA-N
XLogP1.24
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide
CID 75473398
1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 75473418
3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide
CID 121150133
2-(benzotriazol-1-yl)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
CID 91624960
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
CID 75473448
2-[(2R)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
CID 97342630
2-[(2S)-oxolan-2-yl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethanone
CID 97342629
3-(4-methylsulfanylphenyl)-1-[(3S)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 99986656
(1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 75473419
3-phenylsulfanyl-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 86264909
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]propan-1-one
CID 91624936
3-(benzenesulfonyl)-1-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 121149932

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide?
The IUPAC name of N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide (CID 146131664) is N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide.
What is the SMILES notation for N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide?
The canonical SMILES for N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide is CCNC(=O)CCC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide?
The InChIKey is KVZNULPMADVWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-2-18-16(23)8-9-17(24)21-10-14(11-21)22-12-15(19-20-22)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,18,23).
What are the key properties of N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide?
N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide has a molecular weight of 327.39 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide is sourced from PubChem (CID 146131664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).