N-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide

C21H29N3O3 — CID 25369260

IUPACN-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccccc1CCc1nnc(CCC(=O)NC2CCCCCC2)o1
InChIInChI=1S/C21H29N3O3/c1-26-18-11-7-6-8-16(18)12-14-20-23-24-21(27-20)15-13-19(25)22-17-9-4-2-3-5-10-17/h6-8,11,17H,2-5,9-10,12-15H2,1H3,(H,22,25)
InChIKeyJJGJLCUZAOPKCL-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.63
Rot. Bonds8

About N-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide

N-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 25369260) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID25369260
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESCOc1ccccc1CCc1nnc(CCC(=O)NC2CCCCCC2)o1
InChIInChI=1S/C21H29N3O3/c1-26-18-11-7-6-8-16(18)12-14-20-23-24-21(27-20)15-13-19(25)22-17-9-4-2-3-5-10-17/h6-8,11,17H,2-5,9-10,12-15H2,1H3,(H,22,25)
InChIKeyJJGJLCUZAOPKCL-UHFFFAOYSA-N
XLogP3.63
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42217184
N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109013977
N-cyclohexyl-3-(2,6-dimethoxyphenyl)propanamide
CID 100789356
N-cyclopentyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42556889
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
CID 104956713
N-cyclopentyl-3-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42346090
N-cycloheptyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9082261
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-propan-2-ylpropanamide
CID 42241082
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
N-cyclohexyl-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334279
N-cyclohexyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152119

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 25369260) is N-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide is COc1ccccc1CCc1nnc(CCC(=O)NC2CCCCCC2)o1.
What is the InChIKey of N-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is JJGJLCUZAOPKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-26-18-11-7-6-8-16(18)12-14-20-23-24-21(27-20)15-13-19(25)22-17-9-4-2-3-5-10-17/h6-8,11,17H,2-5,9-10,12-15H2,1H3,(H,22,25).
What are the key properties of N-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide?
N-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 371.48 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 25369260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).