[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

C21H23NO4 — CID 55325072

IUPAC[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESCOc1ccc(CN(C)C(=O)COC(=O)C2(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H23NO4/c1-22(14-16-8-10-18(25-2)11-9-16)19(23)15-26-20(24)21(12-13-21)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3
InChIKeyRICMJTIHZFDUKG-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.93
Rot. Bonds7

About [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate

[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (PubChem CID 55325072) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
PubChem CID55325072
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
SMILESCOc1ccc(CN(C)C(=O)COC(=O)C2(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H23NO4/c1-22(14-16-8-10-18(25-2)11-9-16)19(23)15-26-20(24)21(12-13-21)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3
InChIKeyRICMJTIHZFDUKG-UHFFFAOYSA-N
XLogP2.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
CID 39909967
[2-(4-methoxyanilino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587986
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 55304647
2-anilino-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60683095
2-(1-aminocyclopentyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 64684478
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 55314215
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8527029
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65465742
2-[1-(aminomethyl)cyclobutyl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 81172310
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 54869116
2-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 112779738

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The IUPAC name of [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate (CID 55325072) is [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is COc1ccc(CN(C)C(=O)COC(=O)C2(c3ccccc3)CC2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
The InChIKey is RICMJTIHZFDUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-22(14-16-8-10-18(25-2)11-9-16)19(23)15-26-20(24)21(12-13-21)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3.
What are the key properties of [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate?
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 55325072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).