N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide

C25H24ClN3O4 — CID 3271491

IUPACN-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C12CCC(C)(c3nc4cc5c(cc4nc31)OCO5)C2(C)C
InChIInChI=1S/C25H24ClN3O4/c1-23(2)24(3)7-8-25(23,22(30)29-16-9-13(26)5-6-17(16)31-4)21-20(24)27-14-10-18-19(33-12-32-18)11-15(14)28-21/h5-6,9-11H,7-8,12H2,1-4H3,(H,29,30)
InChIKeyYBIRUQMUOVVJMU-UHFFFAOYSA-N
MW465.94 g/mol
LogP4.99
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide

N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide (PubChem CID 3271491) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
PubChem CID3271491
Molecular FormulaC25H24ClN3O4
Molecular Weight465.94 g/mol
Exact Mass465.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C12CCC(C)(c3nc4cc5c(cc4nc31)OCO5)C2(C)C
InChIInChI=1S/C25H24ClN3O4/c1-23(2)24(3)7-8-25(23,22(30)29-16-9-13(26)5-6-17(16)31-4)21-20(24)27-14-10-18-19(33-12-32-18)11-15(14)28-21/h5-6,9-11H,7-8,12H2,1-4H3,(H,29,30)
InChIKeyYBIRUQMUOVVJMU-UHFFFAOYSA-N
XLogP4.99
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide with MolForge

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Related Compounds

N-(3-chloro-2-methylphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 3271487
N-(2,6-dichlorophenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 5261536
N-(2,5-dichlorophenyl)-6,7,12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-1-carboxamide
CID 3262284
N'-(2,4-dichlorobenzoyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
CID 5261613
N-(3,5-dichloro-2-pyridinyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide
CID 5261542
15,18,18-trimethyl-N'-(4-methylbenzoyl)-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carbohydrazide
CID 5261577
(1S,4R)-N-(5-chloro-2-methoxyphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 7371892
(4-propan-2-ylphenyl) 15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxylate
CID 5261329
N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 775353
(1S,12S)-N-(1,3-benzodioxol-5-ylmethyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 1299087
6,7-dichloro-N',N',12,15,15-pentamethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
CID 5197099
N-(1,3-benzodioxol-5-yl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955463

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide (CID 3271491) is N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide is COc1ccc(Cl)cc1NC(=O)C12CCC(C)(c3nc4cc5c(cc4nc31)OCO5)C2(C)C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide?
The InChIKey is YBIRUQMUOVVJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-23(2)24(3)7-8-25(23,22(30)29-16-9-13(26)5-6-17(16)31-4)21-20(24)27-14-10-18-19(33-12-32-18)11-15(14)28-21/h5-6,9-11H,7-8,12H2,1-4H3,(H,29,30).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide?
N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide has a molecular weight of 465.94 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-15,18,18-trimethyl-7,9-dioxa-3,13-diazapentacyclo[13.2.1.02,14.04,12.06,10]octadeca-2,4,6(10),11,13-pentaene-1-carboxamide is sourced from PubChem (CID 3271491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).