1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide

C19H25N5O2 — CID 55972310

IUPAC1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NCc2cccc(Cn3cncn3)c2)CCCCC1
InChIInChI=1S/C19H25N5O2/c1-15(25)23-19(8-3-2-4-9-19)18(26)21-11-16-6-5-7-17(10-16)12-24-14-20-13-22-24/h5-7,10,13-14H,2-4,8-9,11-12H2,1H3,(H,21,26)(H,23,25)
InChIKeyWELJCZVNHJVLOT-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.78
Rot. Bonds6

About 1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide

1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 55972310) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID55972310
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NCc2cccc(Cn3cncn3)c2)CCCCC1
InChIInChI=1S/C19H25N5O2/c1-15(25)23-19(8-3-2-4-9-19)18(26)21-11-16-6-5-7-17(10-16)12-24-14-20-13-22-24/h5-7,10,13-14H,2-4,8-9,11-12H2,1H3,(H,21,26)(H,23,25)
InChIKeyWELJCZVNHJVLOT-UHFFFAOYSA-N
XLogP1.78
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 75463933
4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55867992
3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55751554
N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394848
1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea
CID 55769889
2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62446622
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62446621
2-oxo-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 56815944
3-fluoro-4-methyl-N-[2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoylamino]ethyl]benzamide
CID 55793823
(2R,6S)-2-ethyl-6-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 95622043
3-(1,2,4-triazol-1-ylmethyl)benzoate
CID 7219985
1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119846749

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide (CID 55972310) is 1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide is CC(=O)NC1(C(=O)NCc2cccc(Cn3cncn3)c2)CCCCC1.
What is the InChIKey of 1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is WELJCZVNHJVLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-15(25)23-19(8-3-2-4-9-19)18(26)21-11-16-6-5-7-17(10-16)12-24-14-20-13-22-24/h5-7,10,13-14H,2-4,8-9,11-12H2,1H3,(H,21,26)(H,23,25).
What are the key properties of 1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide?
1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 55972310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).