methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate

C14H20N2O3 — CID 113058449

IUPACmethyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate
SMILESCCc1ccc(N(CCNC(=O)OC)C(C)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-4-12-5-7-13(8-6-12)16(11(2)17)10-9-15-14(18)19-3/h5-8H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyWLJFHRLJFCVPKY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.96
Rot. Bonds5

About methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate

methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate (PubChem CID 113058449) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate
PubChem CID113058449
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate
SMILESCCc1ccc(N(CCNC(=O)OC)C(C)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-4-12-5-7-13(8-6-12)16(11(2)17)10-9-15-14(18)19-3/h5-8H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyWLJFHRLJFCVPKY-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
CID 113059341
N-(4-ethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058454
methyl N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]carbamate
CID 113063574
N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide
CID 113058431
methyl N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]carbamate
CID 113060022
methyl 3-[acetyl-[2-(methoxycarbonylamino)ethyl]amino]benzoate
CID 113061991
ethyl 4-[acetyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]benzoate
CID 113063271
N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide
CID 113058428
N-(4-ethylphenyl)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 113058469
methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate
CID 113057469
ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate
CID 113061688
N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
CID 91715659

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate?
The IUPAC name of methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate (CID 113058449) is methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate is CCc1ccc(N(CCNC(=O)OC)C(C)=O)cc1.
What is the InChIKey of methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate?
The InChIKey is WLJFHRLJFCVPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-12-5-7-13(8-6-12)16(11(2)17)10-9-15-14(18)19-3/h5-8H,4,9-10H2,1-3H3,(H,15,18).
What are the key properties of methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate?
methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate is sourced from PubChem (CID 113058449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).