[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate

C19H23NO4 — CID 3227612

IUPAC[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate
SMILESCc1ccc(CNC(=O)C(CC(C)C)OC(=O)c2ccco2)cc1
InChIInChI=1S/C19H23NO4/c1-13(2)11-17(24-19(22)16-5-4-10-23-16)18(21)20-12-15-8-6-14(3)7-9-15/h4-10,13,17H,11-12H2,1-3H3,(H,20,21)
InChIKeyKJFLTQFDUHDHJI-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.48
Rot. Bonds7

About [4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate

[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate (PubChem CID 3227612) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is [4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate
PubChem CID3227612
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate
SMILESCc1ccc(CNC(=O)C(CC(C)C)OC(=O)c2ccco2)cc1
InChIInChI=1S/C19H23NO4/c1-13(2)11-17(24-19(22)16-5-4-10-23-16)18(21)20-12-15-8-6-14(3)7-9-15/h4-10,13,17H,11-12H2,1-3H3,(H,20,21)
InChIKeyKJFLTQFDUHDHJI-UHFFFAOYSA-N
XLogP3.48
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate with MolForge

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Related Compounds

N-benzylfuran-2-carboxamide
CID 347531
N-(4-ethoxybenzyl)furan-2-carboxamide
CID 861821
5-[(4-methylphenoxy)methyl]-N-propyl-2-furamide
CID 2200397
benzyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2341426
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 2430380
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 4-formylbenzoate
CID 2494830
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 2559682
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2715190
2-[(Furan-2-ylmethyl)amino]-2-oxoethyl 3,4-dimethylbenzoate
CID 2715806
2-(Tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl furan-2-carboxylate
CID 3154015
Furan-2-carboxylic acid 1-cyclopentylcarbamoyl-2-methyl-propyl ester
CID 3220206
Furan-2-carboxylic acid cyclohexylcarbamoyl-(2-fluoro-phenyl)-methyl ester
CID 3220312

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate?
The IUPAC name of [4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate (CID 3227612) is [4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate?
The canonical SMILES for [4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate is Cc1ccc(CNC(=O)C(CC(C)C)OC(=O)c2ccco2)cc1.
What is the InChIKey of [4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate?
The InChIKey is KJFLTQFDUHDHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13(2)11-17(24-19(22)16-5-4-10-23-16)18(21)20-12-15-8-6-14(3)7-9-15/h4-10,13,17H,11-12H2,1-3H3,(H,20,21).
What are the key properties of [4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate?
[4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(4-methylphenyl)methylamino]-1-oxopentan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 3227612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).