1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide

C18H23N5O2 — CID 26325576

IUPAC1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cn(CCNC(=O)C3CCC3)nn2)cc1
InChIInChI=1S/C18H23N5O2/c1-13-5-7-14(8-6-13)11-20-18(25)16-12-23(22-21-16)10-9-19-17(24)15-3-2-4-15/h5-8,12,15H,2-4,9-11H2,1H3,(H,19,24)(H,20,25)
InChIKeyDXEOGJWDHQVVKS-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.43
Rot. Bonds7

About 1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide

1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide (PubChem CID 26325576) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
PubChem CID26325576
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cn(CCNC(=O)C3CCC3)nn2)cc1
InChIInChI=1S/C18H23N5O2/c1-13-5-7-14(8-6-13)11-20-18(25)16-12-23(22-21-16)10-9-19-17(24)15-3-2-4-15/h5-8,12,15H,2-4,9-11H2,1H3,(H,19,24)(H,20,25)
InChIKeyDXEOGJWDHQVVKS-UHFFFAOYSA-N
XLogP1.43
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methylphenyl)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide
CID 25282296
N-benzyl-1-(2-(18F)fluoroethyl)triazole-4-carboxamide
CID 59757295
N-[[4-(dimethylamino)phenyl]methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 47078545
1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145059
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]cyclobutanecarboxamide
CID 110730554
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
1-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046327
1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148148
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid
CID 107500233
2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 110691373

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide (CID 26325576) is 1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide is Cc1ccc(CNC(=O)c2cn(CCNC(=O)C3CCC3)nn2)cc1.
What is the InChIKey of 1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
The InChIKey is DXEOGJWDHQVVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-5-7-14(8-6-13)11-20-18(25)16-12-23(22-21-16)10-9-19-17(24)15-3-2-4-15/h5-8,12,15H,2-4,9-11H2,1H3,(H,19,24)(H,20,25).
What are the key properties of 1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide?
1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclobutanecarbonylamino)ethyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 26325576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).