methyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate

C16H21NO4 — CID 13132099

IUPACmethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate
SMILESCOCC(=O)N(c1c(C)cccc1C)C1(C(=O)OC)CC1
InChIInChI=1S/C16H21NO4/c1-11-6-5-7-12(2)14(11)17(13(18)10-20-3)16(8-9-16)15(19)21-4/h5-7H,8-10H2,1-4H3
InChIKeyIWLXNRQCTMAYHO-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.99
Rot. Bonds5

About methyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate

methyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate (PubChem CID 13132099) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate
PubChem CID13132099
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate
SMILESCOCC(=O)N(c1c(C)cccc1C)C1(C(=O)OC)CC1
InChIInChI=1S/C16H21NO4/c1-11-6-5-7-12(2)14(11)17(13(18)10-20-3)16(8-9-16)15(19)21-4/h5-7H,8-10H2,1-4H3
InChIKeyIWLXNRQCTMAYHO-UHFFFAOYSA-N
XLogP1.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate (CID 13132099) is methyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate is COCC(=O)N(c1c(C)cccc1C)C1(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate?
The InChIKey is IWLXNRQCTMAYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-6-5-7-12(2)14(11)17(13(18)10-20-3)16(8-9-16)15(19)21-4/h5-7H,8-10H2,1-4H3.
What are the key properties of methyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate?
methyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(N-(2-methoxyacetyl)-2,6-dimethylanilino)cyclopropane-1-carboxylate is sourced from PubChem (CID 13132099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).