15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one

C23H34ClN3O3 — CID 110064607

IUPAC15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one
SMILESCN1CCCCN(C(=O)CN(C)C2CCCC2)CCCOc2ccc(Cl)cc2C1=O
InChIInChI=1S/C23H34ClN3O3/c1-25-12-5-6-13-27(22(28)17-26(2)19-8-3-4-9-19)14-7-15-30-21-11-10-18(24)16-20(21)23(25)29/h10-11,16,19H,3-9,12-15,17H2,1-2H3
InChIKeyFBWYXZNIDQNUIX-UHFFFAOYSA-N
MW436.00 g/mol
LogP3.68
Rot. Bonds3

About 15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one

15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one (PubChem CID 110064607) has the molecular formula C23H34ClN3O3 and a molecular weight of 436.00 g/mol. Its IUPAC name is 15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one.

Molecular Properties

Compound Name15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one
PubChem CID110064607
Molecular FormulaC23H34ClN3O3
Molecular Weight436.00 g/mol
Exact Mass435.23
IUPAC Name15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one
SMILESCN1CCCCN(C(=O)CN(C)C2CCCC2)CCCOc2ccc(Cl)cc2C1=O
InChIInChI=1S/C23H34ClN3O3/c1-25-12-5-6-13-27(22(28)17-26(2)19-8-3-4-9-19)14-7-15-30-21-11-10-18(24)16-20(21)23(25)29/h10-11,16,19H,3-9,12-15,17H2,1-2H3
InChIKeyFBWYXZNIDQNUIX-UHFFFAOYSA-N
XLogP3.68
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.00
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one?
The IUPAC name of 15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one (CID 110064607) is 15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one.
What is the SMILES notation for 15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one?
The canonical SMILES for 15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one is CN1CCCCN(C(=O)CN(C)C2CCCC2)CCCOc2ccc(Cl)cc2C1=O.
What is the InChIKey of 15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one?
The InChIKey is FBWYXZNIDQNUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN3O3/c1-25-12-5-6-13-27(22(28)17-26(2)19-8-3-4-9-19)14-7-15-30-21-11-10-18(24)16-20(21)23(25)29/h10-11,16,19H,3-9,12-15,17H2,1-2H3.
What are the key properties of 15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one?
15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one has a molecular weight of 436.00 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-6-[2-[cyclopentyl(methyl)amino]acetyl]-11-methyl-2-oxa-6,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-12-one is sourced from PubChem (CID 110064607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).