2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide

C14H18N2O2 — CID 47170584

IUPAC2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESC#Cc1cccc(NCC(=O)NC(C)COC)c1
InChIInChI=1S/C14H18N2O2/c1-4-12-6-5-7-13(8-12)15-9-14(17)16-11(2)10-18-3/h1,5-8,11,15H,9-10H2,2-3H3,(H,16,17)
InChIKeyLJIGYZBJZVOBLI-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.23
Rot. Bonds6

About 2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide

2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 47170584) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID47170584
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESC#Cc1cccc(NCC(=O)NC(C)COC)c1
InChIInChI=1S/C14H18N2O2/c1-4-12-6-5-7-13(8-12)15-9-14(17)16-11(2)10-18-3/h1,5-8,11,15H,9-10H2,2-3H3,(H,16,17)
InChIKeyLJIGYZBJZVOBLI-UHFFFAOYSA-N
XLogP1.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethynylphenyl)-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94812290
2-(3-ethynylanilino)-N-(2-methoxyethylcarbamoyl)acetamide
CID 31418252
2-(3-ethynylanilino)-N-(4-methoxyphenyl)acetamide
CID 28564126
2-(3-ethynylanilino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 71848786
2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 107789246
(2R)-2-[[2-(3-ethynylanilino)acetyl]amino]-N-methyl-2-phenylacetamide
CID 97228242
3-(3-ethynylanilino)-N-propan-2-ylpropanamide
CID 62624986
2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 80973341
N-(1-methoxypropan-2-yl)-2-(4-propan-2-yloxyanilino)acetamide
CID 61487924
2-(2,6-diethylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 62328026
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 60684179
N,N-diethyl-2-(3-ethynylanilino)acetamide
CID 28564060

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide (CID 47170584) is 2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide is C#Cc1cccc(NCC(=O)NC(C)COC)c1.
What is the InChIKey of 2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is LJIGYZBJZVOBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-12-6-5-7-13(8-12)15-9-14(17)16-11(2)10-18-3/h1,5-8,11,15H,9-10H2,2-3H3,(H,16,17).
What are the key properties of 2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide?
2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 47170584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).