[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate

C24H22Cl2N2O5 — CID 42006510

IUPAC[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCOc1ccc2cc(CN(C)C(=O)COC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)ccc2c1
InChIInChI=1S/C24H22Cl2N2O5/c1-28(13-15-3-4-17-10-19(32-2)7-5-16(17)9-15)22(29)14-33-23(30)12-27-24(31)18-6-8-20(25)21(26)11-18/h3-11H,12-14H2,1-2H3,(H,27,31)
InChIKeyDQECXGLQYRTTCQ-UHFFFAOYSA-N
MW489.36 g/mol
LogP4.09
Rot. Bonds8

About [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate

[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate (PubChem CID 42006510) has the molecular formula C24H22Cl2N2O5 and a molecular weight of 489.36 g/mol. Its IUPAC name is [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
PubChem CID42006510
Molecular FormulaC24H22Cl2N2O5
Molecular Weight489.36 g/mol
Exact Mass488.09
IUPAC Name[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
SMILESCOc1ccc2cc(CN(C)C(=O)COC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)ccc2c1
InChIInChI=1S/C24H22Cl2N2O5/c1-28(13-15-3-4-17-10-19(32-2)7-5-16(17)9-15)22(29)14-33-23(30)12-27-24(31)18-6-8-20(25)21(26)11-18/h3-11H,12-14H2,1-2H3,(H,27,31)
InChIKeyDQECXGLQYRTTCQ-UHFFFAOYSA-N
XLogP4.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 9011158
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015774
2,4-dichloro-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]benzamide
CID 17499196
4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide
CID 24682481
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 9346946
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] (E)-but-2-enoate
CID 9080710
5-bromo-N-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 17480140
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884860
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024

Frequently Asked Questions

What is the IUPAC name of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate (CID 42006510) is [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate is COc1ccc2cc(CN(C)C(=O)COC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)ccc2c1.
What is the InChIKey of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
The InChIKey is DQECXGLQYRTTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O5/c1-28(13-15-3-4-17-10-19(32-2)7-5-16(17)9-15)22(29)14-33-23(30)12-27-24(31)18-6-8-20(25)21(26)11-18/h3-11H,12-14H2,1-2H3,(H,27,31).
What are the key properties of [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate?
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate has a molecular weight of 489.36 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 42006510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).