2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide

C14H16N4O2 — CID 107789246

IUPAC2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C14H16N4O2/c1-10(9-20-2)18-14(19)8-17-13-4-3-11(6-15)12(5-13)7-16/h3-5,10,17H,8-9H2,1-2H3,(H,18,19)
InChIKeyYGPQXGOWHZYPLO-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.99
Rot. Bonds6

About 2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide

2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 107789246) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID107789246
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C14H16N4O2/c1-10(9-20-2)18-14(19)8-17-13-4-3-11(6-15)12(5-13)7-16/h3-5,10,17H,8-9H2,1-2H3,(H,18,19)
InChIKeyYGPQXGOWHZYPLO-UHFFFAOYSA-N
XLogP0.99
TPSA97.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 60710986
2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 80973341
N-butan-2-yl-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317351
N-(1-methoxypropan-2-yl)-2-(4-propan-2-yloxyanilino)acetamide
CID 61487924
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 60684179
2-(3-ethynylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 47170584
N-(cyclopropylmethyl)-2-(3,4-dicyanoanilino)acetamide
CID 67011238
2-[4-(diethylamino)anilino]-N-(1-methoxypropan-2-yl)acetamide
CID 60685420
1-[2-(3,4-dicyanoanilino)acetyl]oxyethyl 2-aminoacetate
CID 141047915
N-(2-cyanoethyl)-2-(3,4-dicyanoanilino)acetamide
CID 107789307
butyl 4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 51252606
1-(3-cyano-4-fluorophenyl)-3-(1-methoxypropan-2-yl)thiourea
CID 115609918

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide (CID 107789246) is 2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CNc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is YGPQXGOWHZYPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10(9-20-2)18-14(19)8-17-13-4-3-11(6-15)12(5-13)7-16/h3-5,10,17H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide?
2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 272.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 107789246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).