2-(4-ethoxyanilino)-N-methylpropanamide

C12H18N2O2 — CID 43085866

IUPAC2-(4-ethoxyanilino)-N-methylpropanamide
SMILESCCOc1ccc(NC(C)C(=O)NC)cc1
InChIInChI=1S/C12H18N2O2/c1-4-16-11-7-5-10(6-8-11)14-9(2)12(15)13-3/h5-9,14H,4H2,1-3H3,(H,13,15)
InChIKeyLVVQXDFVJSGMKB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.63
Rot. Bonds5

About 2-(4-ethoxyanilino)-N-methylpropanamide

2-(4-ethoxyanilino)-N-methylpropanamide (PubChem CID 43085866) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-methylpropanamide
PubChem CID43085866
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(4-ethoxyanilino)-N-methylpropanamide
SMILESCCOc1ccc(NC(C)C(=O)NC)cc1
InChIInChI=1S/C12H18N2O2/c1-4-16-11-7-5-10(6-8-11)14-9(2)12(15)13-3/h5-9,14H,4H2,1-3H3,(H,13,15)
InChIKeyLVVQXDFVJSGMKB-UHFFFAOYSA-N
XLogP1.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide
CID 41036741
(2S)-2-[4-(4-ethoxyphenoxy)anilino]-N-(ethylcarbamoyl)propanamide
CID 32737082
2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376
2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242371
N-methyl-2-(4-phenoxyanilino)propanamide
CID 43085961
4-[[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-N-(4-ethoxyphenyl)benzamide
CID 2420633
2-(4-ethoxy-3-fluoroanilino)-N-methylpropanamide
CID 113399730
2-(4-iodoanilino)-N-methylpropanamide
CID 43086006
2-(2-ethoxyanilino)-N-methylpropanamide
CID 43085473
N-butan-2-yl-4-ethoxyaniline;2-hydroxyacetic acid
CID 67636325
N-butyl-2-(4-propoxyanilino)propanamide
CID 62329025
(2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide
CID 7509504

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-methylpropanamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-methylpropanamide (CID 43085866) is 2-(4-ethoxyanilino)-N-methylpropanamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-methylpropanamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-methylpropanamide is CCOc1ccc(NC(C)C(=O)NC)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-methylpropanamide?
The InChIKey is LVVQXDFVJSGMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-16-11-7-5-10(6-8-11)14-9(2)12(15)13-3/h5-9,14H,4H2,1-3H3,(H,13,15).
What are the key properties of 2-(4-ethoxyanilino)-N-methylpropanamide?
2-(4-ethoxyanilino)-N-methylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-methylpropanamide is sourced from PubChem (CID 43085866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).