ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate

C19H27NO3 — CID 56520620

IUPACethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H27NO3/c1-6-23-16(21)13-20(5)17(22)19(11-12-19)15-9-7-14(8-10-15)18(2,3)4/h7-10H,6,11-13H2,1-5H3
InChIKeyRUQGEADLTMFTMR-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.04
Rot. Bonds5

About ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate

ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate (PubChem CID 56520620) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate
PubChem CID56520620
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Nameethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H27NO3/c1-6-23-16(21)13-20(5)17(22)19(11-12-19)15-9-7-14(8-10-15)18(2,3)4/h7-10H,6,11-13H2,1-5H3
InChIKeyRUQGEADLTMFTMR-UHFFFAOYSA-N
XLogP3.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopropane-1-carboxamide
CID 39094433
ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate
CID 61013046
1-(4-aminophenyl)-N-(2-ethoxyethyl)-N-methylcyclopropane-1-carboxamide
CID 112558421
ethyl 3-(4-tert-butylphenyl)-3-(dimethylamino)butanoate
CID 64541814
ethyl 2-[(1-carbamothioylcyclobutanecarbonyl)-methylamino]acetate
CID 80589048
ethyl 4-(4-tert-butylphenyl)-4-methylpiperidine-1-carboxylate
CID 129156425
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl 2-[methyl-(2-phenylacetyl)amino]acetate
CID 10489936
1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
CID 115913375
ethyl 2-amino-2-(4-tert-butylphenyl)propanoate
CID 3918819
1-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55521666
ethyl 2-[(4-tert-butylphenyl)sulfonyl-propylamino]acetate
CID 55855485

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate?
The IUPAC name of ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate (CID 56520620) is ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate?
The canonical SMILES for ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate is CCOC(=O)CN(C)C(=O)C1(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate?
The InChIKey is RUQGEADLTMFTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-6-23-16(21)13-20(5)17(22)19(11-12-19)15-9-7-14(8-10-15)18(2,3)4/h7-10H,6,11-13H2,1-5H3.
What are the key properties of ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate?
ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate has a molecular weight of 317.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(4-tert-butylphenyl)cyclopropanecarbonyl]-methylamino]acetate is sourced from PubChem (CID 56520620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).