2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide

C13H17N3O2 — CID 60710986

IUPAC2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1ccccc1C#N
InChIInChI=1S/C13H17N3O2/c1-10(9-18-2)16-13(17)8-15-12-6-4-3-5-11(12)7-14/h3-6,10,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyAKRUBPMVSCFTEX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.12
Rot. Bonds6

About 2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide

2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 60710986) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID60710986
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1ccccc1C#N
InChIInChI=1S/C13H17N3O2/c1-10(9-18-2)16-13(17)8-15-12-6-4-3-5-11(12)7-14/h3-6,10,15H,8-9H2,1-2H3,(H,16,17)
InChIKeyAKRUBPMVSCFTEX-UHFFFAOYSA-N
XLogP1.12
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55437645
2-(3,4-dicyanoanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 107789246
2-(2-cyanophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 24691899
2-(1-methoxypropan-2-ylamino)benzonitrile
CID 43180296
2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 113246770
2-(2-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 28580926
2-cyano-N-(1-methoxypropan-2-yl)acetamide
CID 3371821
N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
CID 28580893
2-(2,6-diethylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 62328026
N-[(2R)-1-methoxypropan-2-yl]-3-(2-methylanilino)propanamide
CID 94814438
N-(1-methoxypropan-2-yl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 51260899
2-(4-chloro-2-methylanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51726773

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide (CID 60710986) is 2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CNc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is AKRUBPMVSCFTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10(9-18-2)16-13(17)8-15-12-6-4-3-5-11(12)7-14/h3-6,10,15H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide?
2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 247.30 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 60710986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).