benzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate

C18H20N2O3 — CID 824286

IUPACbenzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate
SMILESCc1ccc(NC(=O)CNC(=O)OCc2ccccc2)cc1C
InChIInChI=1S/C18H20N2O3/c1-13-8-9-16(10-14(13)2)20-17(21)11-19-18(22)23-12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeySUNUTXQJCIVPPR-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.17
Rot. Bonds5

About benzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate

benzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate (PubChem CID 824286) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is benzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate
PubChem CID824286
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namebenzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate
SMILESCc1ccc(NC(=O)CNC(=O)OCc2ccccc2)cc1C
InChIInChI=1S/C18H20N2O3/c1-13-8-9-16(10-14(13)2)20-17(21)11-19-18(22)23-12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeySUNUTXQJCIVPPR-UHFFFAOYSA-N
XLogP3.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate (CID 824286) is benzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate is Cc1ccc(NC(=O)CNC(=O)OCc2ccccc2)cc1C.
What is the InChIKey of benzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate?
The InChIKey is SUNUTXQJCIVPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-8-9-16(10-14(13)2)20-17(21)11-19-18(22)23-12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of benzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate?
benzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate has a molecular weight of 312.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(3,4-dimethylanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 824286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).