ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate

C14H18ClN3O4 — CID 9036414

IUPACethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O4/c1-3-22-14(21)17-13(20)9-18(2)8-12(19)16-11-7-5-4-6-10(11)15/h4-7H,3,8-9H2,1-2H3,(H,16,19)(H,17,20,21)
InChIKeyBJUGKUWVHQYSJT-UHFFFAOYSA-N
MW327.77 g/mol
LogP1.48
Rot. Bonds6

About ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate

ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate (PubChem CID 9036414) has the molecular formula C14H18ClN3O4 and a molecular weight of 327.77 g/mol. Its IUPAC name is ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
PubChem CID9036414
Molecular FormulaC14H18ClN3O4
Molecular Weight327.77 g/mol
Exact Mass327.10
IUPAC Nameethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O4/c1-3-22-14(21)17-13(20)9-18(2)8-12(19)16-11-7-5-4-6-10(11)15/h4-7H,3,8-9H2,1-2H3,(H,16,19)(H,17,20,21)
InChIKeyBJUGKUWVHQYSJT-UHFFFAOYSA-N
XLogP1.48
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]piperazine-1-carboxylate
CID 9038050
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2698454
N-(2-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9036505
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 2526439
N-(2-chlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799254
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 9037147
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 7851347
2-[[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 27637883
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 38171990
ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905214

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate (CID 9036414) is ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate is CCOC(=O)NC(=O)CN(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate?
The InChIKey is BJUGKUWVHQYSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4/c1-3-22-14(21)17-13(20)9-18(2)8-12(19)16-11-7-5-4-6-10(11)15/h4-7H,3,8-9H2,1-2H3,(H,16,19)(H,17,20,21).
What are the key properties of ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate?
ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate has a molecular weight of 327.77 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]carbamate is sourced from PubChem (CID 9036414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).