N-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide

C29H33ClN2O5 — CID 11489361

IUPACN-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
SMILESCOc1c(Cl)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C29H33ClN2O5/c1-29(2,3)19-17-23(30)27(35-4)24(18-19)31-28(34)26(33)22-9-10-25(21-8-6-5-7-20(21)22)37-16-13-32-11-14-36-15-12-32/h5-10,17-18H,11-16H2,1-4H3,(H,31,34)
InChIKeyJQUTUFUVQNZOGP-UHFFFAOYSA-N
MW525.05 g/mol
LogP5.33
Rot. Bonds8

About N-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide

N-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide (PubChem CID 11489361) has the molecular formula C29H33ClN2O5 and a molecular weight of 525.05 g/mol. Its IUPAC name is N-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
PubChem CID11489361
Molecular FormulaC29H33ClN2O5
Molecular Weight525.05 g/mol
Exact Mass524.21
IUPAC NameN-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
SMILESCOc1c(Cl)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12
InChIInChI=1S/C29H33ClN2O5/c1-29(2,3)19-17-23(30)27(35-4)24(18-19)31-28(34)26(33)22-9-10-25(21-8-6-5-7-20(21)22)37-16-13-32-11-14-36-15-12-32/h5-10,17-18H,11-16H2,1-4H3,(H,31,34)
InChIKeyJQUTUFUVQNZOGP-UHFFFAOYSA-N
XLogP5.33
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.05
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The IUPAC name of N-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide (CID 11489361) is N-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide is COc1c(Cl)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(OCCN2CCOCC2)c2ccccc12.
What is the InChIKey of N-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
The InChIKey is JQUTUFUVQNZOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN2O5/c1-29(2,3)19-17-23(30)27(35-4)24(18-19)31-28(34)26(33)22-9-10-25(21-8-6-5-7-20(21)22)37-16-13-32-11-14-36-15-12-32/h5-10,17-18H,11-16H2,1-4H3,(H,31,34).
What are the key properties of N-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide?
N-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide has a molecular weight of 525.05 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide is sourced from PubChem (CID 11489361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).