[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

C18H23NO4 — CID 4875476

IUPAC[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H23NO4/c1-11-9-14(11)17(22)23-10-15(20)19-16(21)12-5-7-13(8-6-12)18(2,3)4/h5-8,11,14H,9-10H2,1-4H3,(H,19,20,21)
InChIKeyFQPQBYQPTGBKAM-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.44
Rot. Bonds4

About [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (PubChem CID 4875476) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
PubChem CID4875476
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCC1CC1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H23NO4/c1-11-9-14(11)17(22)23-10-15(20)19-16(21)12-5-7-13(8-6-12)18(2,3)4/h5-8,11,14H,9-10H2,1-4H3,(H,19,20,21)
InChIKeyFQPQBYQPTGBKAM-UHFFFAOYSA-N
XLogP2.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (CID 4875476) is [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is CC1CC1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The InChIKey is FQPQBYQPTGBKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-11-9-14(11)17(22)23-10-15(20)19-16(21)12-5-7-13(8-6-12)18(2,3)4/h5-8,11,14H,9-10H2,1-4H3,(H,19,20,21).
What are the key properties of [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate has a molecular weight of 317.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 4875476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).