naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

C23H23NO6 — CID 7899325

IUPACnaphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCc2cccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C23H23NO6/c1-27-19-11-17(12-20(28-2)22(19)29-3)23(26)24-13-21(25)30-14-16-9-6-8-15-7-4-5-10-18(15)16/h4-12H,13-14H2,1-3H3,(H,24,26)
InChIKeyGDLMMCNDGYOJRO-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.34
Rot. Bonds8

About naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (PubChem CID 7899325) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
PubChem CID7899325
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Namenaphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCc2cccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C23H23NO6/c1-27-19-11-17(12-20(28-2)22(19)29-3)23(26)24-13-21(25)30-14-16-9-6-8-15-7-4-5-10-18(15)16/h4-12H,13-14H2,1-3H3,(H,24,26)
InChIKeyGDLMMCNDGYOJRO-UHFFFAOYSA-N
XLogP3.34
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide
CID 91683229
[1-(benzylamino)-1-oxopropan-2-yl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 55320288
3,4,5-trimethoxy-N-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 30855829
naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate
CID 926068
3,4,5-trimethoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174588
(3,3-dimethyl-2-oxobutyl) 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 40589265
1-benzothiophen-3-ylmethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55885872
(2-methoxyphenyl)methyl 2-[(4-bromobenzoyl)amino]acetate
CID 9364238
(2-ethoxyphenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788915
naphthalen-1-ylmethyl 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827559
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 2998346
2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 55356834

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The IUPAC name of naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (CID 7899325) is naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.
What is the SMILES notation for naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The canonical SMILES for naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is COc1cc(C(=O)NCC(=O)OCc2cccc3ccccc23)cc(OC)c1OC.
What is the InChIKey of naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The InChIKey is GDLMMCNDGYOJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c1-27-19-11-17(12-20(28-2)22(19)29-3)23(26)24-13-21(25)30-14-16-9-6-8-15-7-4-5-10-18(15)16/h4-12H,13-14H2,1-3H3,(H,24,26).
What are the key properties of naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate has a molecular weight of 409.44 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7899325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).