(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide

C14H20N2O — CID 28843279

IUPAC(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)Nc1ccc(CC)cc1
InChIInChI=1S/C14H20N2O/c1-4-10-15-14(17)11(3)16-13-8-6-12(5-2)7-9-13/h4,6-9,11,16H,1,5,10H2,2-3H3,(H,15,17)/t11-/m1/s1
InChIKeyXQPLOTAIZSVGIX-LLVKDONJSA-N
MW232.33 g/mol
LogP2.35
Rot. Bonds6

About (2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide

(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide (PubChem CID 28843279) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
PubChem CID28843279
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)Nc1ccc(CC)cc1
InChIInChI=1S/C14H20N2O/c1-4-10-15-14(17)11(3)16-13-8-6-12(5-2)7-9-13/h4,6-9,11,16H,1,5,10H2,2-3H3,(H,15,17)/t11-/m1/s1
InChIKeyXQPLOTAIZSVGIX-LLVKDONJSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744
2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide
CID 47065396
N-prop-2-enyl-2-(4-propoxyanilino)propanamide
CID 62328512
(2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide
CID 28884943
N-tert-butyl-2-(4-ethylanilino)propanamide
CID 45282110
N'-(4-ethylphenyl)-N-prop-2-enyloxamide
CID 7541573
N-(4-bromophenyl)-2-(4-ethylanilino)propanamide
CID 46799470
2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 86919769
2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 43087357
2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide
CID 13252290
1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea
CID 127510643
N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide
CID 47120773

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide?
The IUPAC name of (2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide (CID 28843279) is (2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for (2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for (2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)[C@@H](C)Nc1ccc(CC)cc1.
What is the InChIKey of (2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide?
The InChIKey is XQPLOTAIZSVGIX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-10-15-14(17)11(3)16-13-8-6-12(5-2)7-9-13/h4,6-9,11,16H,1,5,10H2,2-3H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide?
(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide has a molecular weight of 232.33 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 28843279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).