N-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide

C18H24N4O2 — CID 16674697

IUPACN-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc(C2(NC(=O)CCn3cncn3)CCCCC2)cc1
InChIInChI=1S/C18H24N4O2/c1-24-16-7-5-15(6-8-16)18(10-3-2-4-11-18)21-17(23)9-12-22-14-19-13-20-22/h5-8,13-14H,2-4,9-12H2,1H3,(H,21,23)
InChIKeyWZYIXZXJCGIOGJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.65
Rot. Bonds6

About N-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 16674697) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID16674697
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc(C2(NC(=O)CCn3cncn3)CCCCC2)cc1
InChIInChI=1S/C18H24N4O2/c1-24-16-7-5-15(6-8-16)18(10-3-2-4-11-18)21-17(23)9-12-22-14-19-13-20-22/h5-8,13-14H,2-4,9-12H2,1H3,(H,21,23)
InChIKeyWZYIXZXJCGIOGJ-UHFFFAOYSA-N
XLogP2.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 16674697) is N-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide is COc1ccc(C2(NC(=O)CCn3cncn3)CCCCC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is WZYIXZXJCGIOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-16-7-5-15(6-8-16)18(10-3-2-4-11-18)21-17(23)9-12-22-14-19-13-20-22/h5-8,13-14H,2-4,9-12H2,1H3,(H,21,23).
What are the key properties of N-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 16674697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).