[2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

C19H19NO4 — CID 8587986

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)C2(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H19NO4/c1-23-16-9-7-15(8-10-16)20-17(21)13-24-18(22)19(11-12-19)14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,21)
InChIKeyPCOLOGRIHJZAOU-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.91
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

[2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (PubChem CID 8587986) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
PubChem CID8587986
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)C2(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H19NO4/c1-23-16-9-7-15(8-10-16)20-17(21)13-24-18(22)19(11-12-19)14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,21)
InChIKeyPCOLOGRIHJZAOU-UHFFFAOYSA-N
XLogP2.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588587
[2-(4-chloroanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588474
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587838
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8951289
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8642070
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 55325072
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8527029
[2-(3-methoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866395
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (CID 8587986) is [2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is COc1ccc(NC(=O)COC(=O)C2(c3ccccc3)CC2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The InChIKey is PCOLOGRIHJZAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-23-16-9-7-15(8-10-16)20-17(21)13-24-18(22)19(11-12-19)14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,20,21).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
[2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 8587986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).