ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate

C14H20N2O3 — CID 113057346

IUPACethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate
SMILESCCOC(=O)NCCN(C(C)=O)c1ccccc1C
InChIInChI=1S/C14H20N2O3/c1-4-19-14(18)15-9-10-16(12(3)17)13-8-6-5-7-11(13)2/h5-8H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyKULKAEKVQJPGLF-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.09
Rot. Bonds5

About ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate

ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate (PubChem CID 113057346) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate
PubChem CID113057346
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate
SMILESCCOC(=O)NCCN(C(C)=O)c1ccccc1C
InChIInChI=1S/C14H20N2O3/c1-4-19-14(18)15-9-10-16(12(3)17)13-8-6-5-7-11(13)2/h5-8H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyKULKAEKVQJPGLF-UHFFFAOYSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate
CID 113059937
ethyl N-[2-(N-acetyl-2-morpholin-4-ylanilino)ethyl]carbamate
CID 113062485
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate
CID 113061688
methyl 3-(N-acetyl-2-methylanilino)propanoate
CID 75507009
N-[2-(methanesulfonamido)ethyl]-N-(2-methylphenyl)acetamide
CID 113057355
3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123546
ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate
CID 113060315
methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate
CID 113060483
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113057322
ethyl 2-[acetyl(2-benzamidoethyl)amino]benzoate
CID 113064040
3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide
CID 113123613

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate (CID 113057346) is ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate is CCOC(=O)NCCN(C(C)=O)c1ccccc1C.
What is the InChIKey of ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate?
The InChIKey is KULKAEKVQJPGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-14(18)15-9-10-16(12(3)17)13-8-6-5-7-11(13)2/h5-8H,4,9-10H2,1-3H3,(H,15,18).
What are the key properties of ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate?
ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate is sourced from PubChem (CID 113057346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).