[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate

C23H24N2O4 — CID 7150074

IUPAC[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESCc1ccccc1CN(C)C(=O)COC(=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C23H24N2O4/c1-17-8-3-4-9-18(17)15-25(2)22(26)16-29-23(27)20-11-5-6-12-21(20)24-14-19-10-7-13-28-19/h3-13,24H,14-16H2,1-2H3
InChIKeyTWLSAKBILFGTET-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.02
Rot. Bonds8

About [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate

[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (PubChem CID 7150074) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.

Molecular Properties

Compound Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
PubChem CID7150074
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
SMILESCc1ccccc1CN(C)C(=O)COC(=O)c1ccccc1NCc1ccco1
InChIInChI=1S/C23H24N2O4/c1-17-8-3-4-9-18(17)15-25(2)22(26)16-29-23(27)20-11-5-6-12-21(20)24-14-19-10-7-13-28-19/h3-13,24H,14-16H2,1-2H3
InChIKeyTWLSAKBILFGTET-UHFFFAOYSA-N
XLogP4.02
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224215
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7150042
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
ethyl 2-[(2-methylphenyl)methylamino]benzoate
CID 43217386
(2-anilino-2-oxoethyl) 2-(furan-2-ylmethylamino)benzoate
CID 2613781
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7256849
[2-(butylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7149879
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224212
(4-amino-3-cyano-2-oxopent-3-enyl) 2-(furan-2-ylmethylamino)benzoate
CID 3592546
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 18075738
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 2613697

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The IUPAC name of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate (CID 7150074) is [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate.
What is the SMILES notation for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The canonical SMILES for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is Cc1ccccc1CN(C)C(=O)COC(=O)c1ccccc1NCc1ccco1.
What is the InChIKey of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
The InChIKey is TWLSAKBILFGTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-17-8-3-4-9-18(17)15-25(2)22(26)16-29-23(27)20-11-5-6-12-21(20)24-14-19-10-7-13-28-19/h3-13,24H,14-16H2,1-2H3.
What are the key properties of [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate?
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate has a molecular weight of 392.46 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate is sourced from PubChem (CID 7150074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).