N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide

C17H21N5O2 — CID 112520299

IUPACN-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESCC(NC(=O)Cn1cc(NC(=O)C2CCC2)nn1)c1ccccc1
InChIInChI=1S/C17H21N5O2/c1-12(13-6-3-2-4-7-13)18-16(23)11-22-10-15(20-21-22)19-17(24)14-8-5-9-14/h2-4,6-7,10,12,14H,5,8-9,11H2,1H3,(H,18,23)(H,19,24)
InChIKeyUNVPYEMRVDZTGV-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.89
Rot. Bonds6

About N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide

N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide (PubChem CID 112520299) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
PubChem CID112520299
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
SMILESCC(NC(=O)Cn1cc(NC(=O)C2CCC2)nn1)c1ccccc1
InChIInChI=1S/C17H21N5O2/c1-12(13-6-3-2-4-7-13)18-16(23)11-22-10-15(20-21-22)19-17(24)14-8-5-9-14/h2-4,6-7,10,12,14H,5,8-9,11H2,1H3,(H,18,23)(H,19,24)
InChIKeyUNVPYEMRVDZTGV-UHFFFAOYSA-N
XLogP1.89
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-oxo-2-(2-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112519965
N-[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521085
2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 115459911
N-[1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112529265
N-[1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112520718
1-[2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 18089114
N-[1-[2-oxo-2-(propan-2-ylamino)ethyl]triazol-4-yl]propanamide
CID 112520034
N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112525290
N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112532276
N-[1-(2-anilino-2-oxoethyl)triazol-4-yl]-2-methylpropanamide
CID 112520407
(2R)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidine-2-carboxamide
CID 41075375
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide (CID 112520299) is N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide is CC(NC(=O)Cn1cc(NC(=O)C2CCC2)nn1)c1ccccc1.
What is the InChIKey of N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide?
The InChIKey is UNVPYEMRVDZTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12(13-6-3-2-4-7-13)18-16(23)11-22-10-15(20-21-22)19-17(24)14-8-5-9-14/h2-4,6-7,10,12,14H,5,8-9,11H2,1H3,(H,18,23)(H,19,24).
What are the key properties of N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide?
N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-(1-phenylethylamino)ethyl]triazol-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 112520299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).