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

C14H18N2O — CID 28884943

IUPAC(2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)[C@@H](C)Nc1ccc(CC)cc1
InChIInChI=1S/C14H18N2O/c1-4-10-15-14(17)11(3)16-13-8-6-12(5-2)7-9-13/h1,6-9,11,16H,5,10H2,2-3H3,(H,15,17)/t11-/m1/s1
InChIKeyUKLUPTXLUOGAAH-LLVKDONJSA-N
MW230.31 g/mol
LogP1.80
Rot. Bonds5

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

(2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide (PubChem CID 28884943) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide
PubChem CID28884943
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)[C@@H](C)Nc1ccc(CC)cc1
InChIInChI=1S/C14H18N2O/c1-4-10-15-14(17)11(3)16-13-8-6-12(5-2)7-9-13/h1,6-9,11,16H,5,10H2,2-3H3,(H,15,17)/t11-/m1/s1
InChIKeyUKLUPTXLUOGAAH-LLVKDONJSA-N
XLogP1.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-prop-2-ynylpropanamide
CID 43112793
2-(4-phenylanilino)-N-prop-2-ynylpropanamide
CID 60720749
4-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]benzamide
CID 43112981
(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
CID 28843279
2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide
CID 43420257
N-tert-butyl-2-(4-ethylanilino)propanamide
CID 45282110
2-(4-fluoro-3-methylanilino)-N-prop-2-ynylpropanamide
CID 55118922
2-[(6-methoxy-3-pyridinyl)amino]-N-prop-2-ynylpropanamide
CID 43114033
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-N-prop-2-ynylpropanamide
CID 47157501
N-(4-bromophenyl)-2-(4-ethylanilino)propanamide
CID 46799470
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-prop-2-ynylpropanamide
CID 43113643
2-(2-chloroanilino)-N-prop-2-ynylpropanamide
CID 43113364

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide?
The IUPAC name of (2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide (CID 28884943) is (2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide.
What is the SMILES notation for (2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide?
The canonical SMILES for (2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide is C#CCNC(=O)[C@@H](C)Nc1ccc(CC)cc1.
What is the InChIKey of (2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide?
The InChIKey is UKLUPTXLUOGAAH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-10-15-14(17)11(3)16-13-8-6-12(5-2)7-9-13/h1,6-9,11,16H,5,10H2,2-3H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide?
(2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 1.80, 5 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-ynylpropanamide is sourced from PubChem (CID 28884943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).