N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide

C16H24N2O3 — CID 113060736

IUPACN-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide
SMILESCCOc1ccccc1N(CCNC(=O)C(C)C)C(C)=O
InChIInChI=1S/C16H24N2O3/c1-5-21-15-9-7-6-8-14(15)18(13(4)19)11-10-17-16(20)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,17,20)
InChIKeyCCXOPINQKPZSGS-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.21
Rot. Bonds7

About N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide

N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide (PubChem CID 113060736) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide
PubChem CID113060736
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide
SMILESCCOc1ccccc1N(CCNC(=O)C(C)C)C(C)=O
InChIInChI=1S/C16H24N2O3/c1-5-21-15-9-7-6-8-14(15)18(13(4)19)11-10-17-16(20)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,17,20)
InChIKeyCCXOPINQKPZSGS-UHFFFAOYSA-N
XLogP2.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113060788
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
CID 113060774
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide
CID 113060789
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide
CID 113060744
N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide
CID 113062718
methyl 2-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]benzoate
CID 113061873
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide
CID 113060757
2-(N-acetyl-2-ethoxyanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113173694
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate
CID 113060483
3-(N-acetyl-2-ethoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 113129331
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070548

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide (CID 113060736) is N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide is CCOc1ccccc1N(CCNC(=O)C(C)C)C(C)=O.
What is the InChIKey of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide?
The InChIKey is CCXOPINQKPZSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-21-15-9-7-6-8-14(15)18(13(4)19)11-10-17-16(20)12(2)3/h6-9,12H,5,10-11H2,1-4H3,(H,17,20).
What are the key properties of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide?
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 113060736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).