methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate

C13H18N2O4 — CID 113060483

IUPACmethyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate
SMILESCOC(=O)NCCN(C(C)=O)c1ccccc1OC
InChIInChI=1S/C13H18N2O4/c1-10(16)15(9-8-14-13(17)19-3)11-6-4-5-7-12(11)18-2/h4-7H,8-9H2,1-3H3,(H,14,17)
InChIKeySKEOMNQQXFUAKE-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.40
Rot. Bonds5

About methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate

methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate (PubChem CID 113060483) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate
PubChem CID113060483
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate
SMILESCOC(=O)NCCN(C(C)=O)c1ccccc1OC
InChIInChI=1S/C13H18N2O4/c1-10(16)15(9-8-14-13(17)19-3)11-6-4-5-7-12(11)18-2/h4-7H,8-9H2,1-3H3,(H,14,17)
InChIKeySKEOMNQQXFUAKE-UHFFFAOYSA-N
XLogP1.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
CID 113060452
3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113128712
N-[2-(N-acetyl-2-methoxyanilino)ethyl]furan-2-carboxamide
CID 113060433
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182
3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
CID 113128709
3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
CID 113128720
methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate
CID 113063198
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-(2-methoxyphenyl)acetamide
CID 113060525
methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
CID 113059341
methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate
CID 113057469
ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate
CID 113057346
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide
CID 113060736

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate?
The IUPAC name of methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate (CID 113060483) is methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate is COC(=O)NCCN(C(C)=O)c1ccccc1OC.
What is the InChIKey of methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate?
The InChIKey is SKEOMNQQXFUAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-10(16)15(9-8-14-13(17)19-3)11-6-4-5-7-12(11)18-2/h4-7H,8-9H2,1-3H3,(H,14,17).
What are the key properties of methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate?
methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate is sourced from PubChem (CID 113060483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).