2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide

C14H19N3O2 — CID 55175904

IUPAC2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(C)C(C)CC#N
InChIInChI=1S/C14H19N3O2/c1-11(8-9-15)17(2)10-14(18)16-12-6-4-5-7-13(12)19-3/h4-7,11H,8,10H2,1-3H3,(H,16,18)
InChIKeyURYNKCVIKJUDQZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.87
Rot. Bonds6

About 2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide

2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 55175904) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide
PubChem CID55175904
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN(C)C(C)CC#N
InChIInChI=1S/C14H19N3O2/c1-11(8-9-15)17(2)10-14(18)16-12-6-4-5-7-13(12)19-3/h4-7,11H,8,10H2,1-3H3,(H,16,18)
InChIKeyURYNKCVIKJUDQZ-UHFFFAOYSA-N
XLogP1.87
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-cyanopropan-2-yl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 78889854
3-cyano-N-(2-methoxyphenyl)-2-methylpropanamide
CID 82114035
2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 60674387
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 46561666
(2R)-N-(2-methoxyphenyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 7986544
N-(2-methoxyphenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 17437130
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
N-(4-aminophenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
CID 63222153
3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid
CID 62827296
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 81496851
(2R)-2-amino-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119267268

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide (CID 55175904) is 2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN(C)C(C)CC#N.
What is the InChIKey of 2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is URYNKCVIKJUDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(8-9-15)17(2)10-14(18)16-12-6-4-5-7-13(12)19-3/h4-7,11H,8,10H2,1-3H3,(H,16,18).
What are the key properties of 2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide?
2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyanopropan-2-yl(methyl)amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 55175904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).