3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide

C24H26N6O5 — CID 70150988

IUPAC3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide
SMILESCCOc1cc(C(CC(N)=O)C23N=NOC24ON=NN3c2ccccc24)ccc1OC1CCCC1
InChIInChI=1S/C24H26N6O5/c1-2-32-21-13-15(11-12-20(21)33-16-7-3-4-8-16)18(14-22(25)31)23-24(34-28-26-23)17-9-5-6-10-19(17)30(23)27-29-35-24/h5-6,9-13,16,18H,2-4,7-8,14H2,1H3,(H2,25,31)
InChIKeyJTALQSSDPXBJEB-UHFFFAOYSA-N
MW478.51 g/mol
LogP4.44
Rot. Bonds8

About 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide

3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide (PubChem CID 70150988) has the molecular formula C24H26N6O5 and a molecular weight of 478.51 g/mol. Its IUPAC name is 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide.

Molecular Properties

Compound Name3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide
PubChem CID70150988
Molecular FormulaC24H26N6O5
Molecular Weight478.51 g/mol
Exact Mass478.20
IUPAC Name3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide
SMILESCCOc1cc(C(CC(N)=O)C23N=NOC24ON=NN3c2ccccc24)ccc1OC1CCCC1
InChIInChI=1S/C24H26N6O5/c1-2-32-21-13-15(11-12-20(21)33-16-7-3-4-8-16)18(14-22(25)31)23-24(34-28-26-23)17-9-5-6-10-19(17)30(23)27-29-35-24/h5-6,9-13,16,18H,2-4,7-8,14H2,1H3,(H2,25,31)
InChIKeyJTALQSSDPXBJEB-UHFFFAOYSA-N
XLogP4.44
TPSA132.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide with MolForge

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Related Compounds

3-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
CID 22022327
3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1,3-dioxobenzo[f]isoindol-2-yl)propanamide
CID 22022292
methyl 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanoate
CID 87908363
2-amino-3-(4-cyclopentyloxy-3-ethoxyphenyl)propanoic acid
CID 170879775
3-(4-cyclohexyloxy-3-methoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanamide
CID 87908435
1-[(3,4-diethoxyphenyl)-phenylmethyl]pyrrolidine-2-carboxylic acid
CID 4029513
3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4-pyridin-4-ylbutanoic acid
CID 67654163
5-(4-cyclopentyloxy-3-ethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402963
4-cyclohexyloxy-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76899248
3-(4-cyclohexyloxy-3-ethoxyphenyl)-3-(1-oxido-3-oxo-2H-pyrrolo[3,2-b]pyridin-2-yl)propanenitrile
CID 87908391
1-[(3,4-diethoxyphenyl)-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4029516
3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)-N-ethylpropanamide;3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 159704439

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide?
The IUPAC name of 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide (CID 70150988) is 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide.
What is the SMILES notation for 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide?
The canonical SMILES for 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide is CCOc1cc(C(CC(N)=O)C23N=NOC24ON=NN3c2ccccc24)ccc1OC1CCCC1.
What is the InChIKey of 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide?
The InChIKey is JTALQSSDPXBJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O5/c1-2-32-21-13-15(11-12-20(21)33-16-7-3-4-8-16)18(14-22(25)31)23-24(34-28-26-23)17-9-5-6-10-19(17)30(23)27-29-35-24/h5-6,9-13,16,18H,2-4,7-8,14H2,1H3,(H2,25,31).
What are the key properties of 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide?
3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide has a molecular weight of 478.51 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxy-3-ethoxyphenyl)-3-(12,13-dioxa-8,10,11,14,15-pentazatetracyclo[6.4.3.01,9.02,7]pentadeca-2,4,6,10,14-pentaen-9-yl)propanamide is sourced from PubChem (CID 70150988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).