N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide

C26H26N4O3 — CID 20952339

IUPACN-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)NC3CCCC3)c3c2cnc2cc4c(cc23)OCCO4)cc1
InChIInChI=1S/C26H26N4O3/c1-16-6-8-17(9-7-16)25-20-14-27-21-13-23-22(32-10-11-33-23)12-19(21)26(20)30(29-25)15-24(31)28-18-4-2-3-5-18/h6-9,12-14,18H,2-5,10-11,15H2,1H3,(H,28,31)
InChIKeyVQZGAMZWOCIUKM-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.39
Rot. Bonds4

About N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide

N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide (PubChem CID 20952339) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide
PubChem CID20952339
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)NC3CCCC3)c3c2cnc2cc4c(cc23)OCCO4)cc1
InChIInChI=1S/C26H26N4O3/c1-16-6-8-17(9-7-16)25-20-14-27-21-13-23-22(32-10-11-33-23)12-19(21)26(20)30(29-25)15-24(31)28-18-4-2-3-5-18/h6-9,12-14,18H,2-5,10-11,15H2,1H3,(H,28,31)
InChIKeyVQZGAMZWOCIUKM-UHFFFAOYSA-N
XLogP4.39
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide (CID 20952339) is N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide is Cc1ccc(-c2nn(CC(=O)NC3CCCC3)c3c2cnc2cc4c(cc23)OCCO4)cc1.
What is the InChIKey of N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide?
The InChIKey is VQZGAMZWOCIUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-16-6-8-17(9-7-16)25-20-14-27-21-13-23-22(32-10-11-33-23)12-19(21)26(20)30(29-25)15-24(31)28-18-4-2-3-5-18/h6-9,12-14,18H,2-5,10-11,15H2,1H3,(H,28,31).
What are the key properties of N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide?
N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide has a molecular weight of 442.52 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[14-(4-methylphenyl)-4,7-dioxa-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3(8),9,11(15),13,16-hexaen-12-yl]acetamide is sourced from PubChem (CID 20952339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).