diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate

C26H35NO7 — CID 67694991

IUPACdiethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate
SMILESCCOC(=O)C(CCCNC(=O)OC(C)(C)C)(C(=O)OCC)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C26H35NO7/c1-7-32-22(28)26(23(29)33-8-2,14-9-15-27-24(30)34-25(3,4)5)20-12-10-19-17-21(31-6)13-11-18(19)16-20/h10-13,16-17H,7-9,14-15H2,1-6H3,(H,27,30)
InChIKeyQPNXREHBGLEUTC-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.52
Rot. Bonds10

About diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate

diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate (PubChem CID 67694991) has the molecular formula C26H35NO7 and a molecular weight of 473.57 g/mol. Its IUPAC name is diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate
PubChem CID67694991
Molecular FormulaC26H35NO7
Molecular Weight473.57 g/mol
Exact Mass473.24
IUPAC Namediethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate
SMILESCCOC(=O)C(CCCNC(=O)OC(C)(C)C)(C(=O)OCC)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C26H35NO7/c1-7-32-22(28)26(23(29)33-8-2,14-9-15-27-24(30)34-25(3,4)5)20-12-10-19-17-21(31-6)13-11-18(19)16-20/h10-13,16-17H,7-9,14-15H2,1-6H3,(H,27,30)
InChIKeyQPNXREHBGLEUTC-UHFFFAOYSA-N
XLogP4.52
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-2-(6-methoxynaphthalen-2-yl)-2-methyl-3-oxopropanoic acid
CID 101052171
ethyl (3R)-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoate
CID 93483561
tert-butyl N-[6-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]hexyl]carbamate
CID 118612061
3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid
CID 65234037
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
tert-butyl N-[5-(4-methoxyphenyl)pentyl]carbamate
CID 11716285
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
diethyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2,6-dicarboxylate
CID 67145385
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
tert-butyl N-[3-[[N-[2-(4-methoxyphenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111886602
ethyl 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)butanoate
CID 10945637
tert-butyl N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]carbamate
CID 165340759

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate?
The IUPAC name of diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate (CID 67694991) is diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate.
What is the SMILES notation for diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate?
The canonical SMILES for diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate is CCOC(=O)C(CCCNC(=O)OC(C)(C)C)(C(=O)OCC)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate?
The InChIKey is QPNXREHBGLEUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO7/c1-7-32-22(28)26(23(29)33-8-2,14-9-15-27-24(30)34-25(3,4)5)20-12-10-19-17-21(31-6)13-11-18(19)16-20/h10-13,16-17H,7-9,14-15H2,1-6H3,(H,27,30).
What are the key properties of diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate?
diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate has a molecular weight of 473.57 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(6-methoxynaphthalen-2-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]propanedioate is sourced from PubChem (CID 67694991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).