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

C13H18N2O3 — CID 112996724

IUPACethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C13H18N2O3/c1-4-18-13(17)14-8-12(16)15-11-7-5-6-9(2)10(11)3/h5-7H,4,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyVNXFKKIQVRNXBN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.99
Rot. Bonds4

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

ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate (PubChem CID 112996724) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
PubChem CID112996724
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C13H18N2O3/c1-4-18-13(17)14-8-12(16)15-11-7-5-6-9(2)10(11)3/h5-7H,4,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyVNXFKKIQVRNXBN-UHFFFAOYSA-N
XLogP1.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8905068
ethyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8931960
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
ethyl N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112522584
methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
CID 112996068
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
ethyl N-[2-(2,6-difluoroanilino)-2-oxoethyl]carbamate
CID 113002294
ethyl 4-[3-(2,3-dimethylanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950321
N-(2,3-dimethylphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 27808986

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate?
The IUPAC name of ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate (CID 112996724) is ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate is CCOC(=O)NCC(=O)Nc1cccc(C)c1C.
What is the InChIKey of ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate?
The InChIKey is VNXFKKIQVRNXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-18-13(17)14-8-12(16)15-11-7-5-6-9(2)10(11)3/h5-7H,4,8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate?
ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 112996724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).