N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide

C25H27N3O5 — CID 142842075

IUPACN-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide
SMILESCOc1ccc(C(Cc2nnco2)NC(=O)c2ccc(C)cc2C=O)cc1OC1CCCC1
InChIInChI=1S/C25H27N3O5/c1-16-7-9-20(18(11-16)14-29)25(30)27-21(13-24-28-26-15-32-24)17-8-10-22(31-2)23(12-17)33-19-5-3-4-6-19/h7-12,14-15,19,21H,3-6,13H2,1-2H3,(H,27,30)
InChIKeyNGFTZMPDKRGEAP-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.23
Rot. Bonds9

About N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide

N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide (PubChem CID 142842075) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide
PubChem CID142842075
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide
SMILESCOc1ccc(C(Cc2nnco2)NC(=O)c2ccc(C)cc2C=O)cc1OC1CCCC1
InChIInChI=1S/C25H27N3O5/c1-16-7-9-20(18(11-16)14-29)25(30)27-21(13-24-28-26-15-32-24)17-8-10-22(31-2)23(12-17)33-19-5-3-4-6-19/h7-12,14-15,19,21H,3-6,13H2,1-2H3,(H,27,30)
InChIKeyNGFTZMPDKRGEAP-UHFFFAOYSA-N
XLogP4.23
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)propyl]isoindole-1,3-dione
CID 68622990
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
2-(3-cyclobutyloxy-4-methoxyphenyl)propanoic acid
CID 117378818
N-[2-(3-cyclopentyloxy-4-methoxyphenyl)propyl]acetamide
CID 142072683
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-2,4,5-trimethylbenzamide
CID 100711328
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 120512153
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid
CID 67654163
4-amino-N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]butanamide
CID 119288180
2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylacetaldehyde
CID 102162287
ethyl N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(4-nitrophenyl)methylamino]ethyl]carbamate
CID 54397995
(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 24955185
ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 57029347

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide?
The IUPAC name of N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide (CID 142842075) is N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide.
What is the SMILES notation for N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide?
The canonical SMILES for N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide is COc1ccc(C(Cc2nnco2)NC(=O)c2ccc(C)cc2C=O)cc1OC1CCCC1.
What is the InChIKey of N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide?
The InChIKey is NGFTZMPDKRGEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-16-7-9-20(18(11-16)14-29)25(30)27-21(13-24-28-26-15-32-24)17-8-10-22(31-2)23(12-17)33-19-5-3-4-6-19/h7-12,14-15,19,21H,3-6,13H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide?
N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide has a molecular weight of 449.51 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-(1,3,4-oxadiazol-2-yl)ethyl]-2-formyl-4-methylbenzamide is sourced from PubChem (CID 142842075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).