2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide

C14H19N3O2 — CID 47117936

IUPAC2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(C)C#N)cc1
InChIInChI=1S/C14H19N3O2/c1-11(8-15)9-17(2)10-14(18)16-12-4-6-13(19-3)7-5-12/h4-7,11H,9-10H2,1-3H3,(H,16,18)
InChIKeyXFEZXGVZPMAJEI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.73
Rot. Bonds6

About 2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide

2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 47117936) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
PubChem CID47117936
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(C)C#N)cc1
InChIInChI=1S/C14H19N3O2/c1-11(8-15)9-17(2)10-14(18)16-12-4-6-13(19-3)7-5-12/h4-7,11H,9-10H2,1-3H3,(H,16,18)
InChIKeyXFEZXGVZPMAJEI-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]acetamide
CID 167278425
1-[(2R)-2-cyanopropyl]-3-(4-methoxyphenyl)-1-methylurea
CID 51957413
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
[(2S)-2-cyanopropyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8817086
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propan-2-ylacetamide
CID 8818117
N-(4-methoxyphenyl)-2-[methyl(propyl)amino]acetamide;propane
CID 145342078
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 9438619
methyl (2S)-2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-4-methylpentanoate
CID 8817915
2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 37426429
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222934
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
2-[[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 40942275

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide (CID 47117936) is 2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)CC(C)C#N)cc1.
What is the InChIKey of 2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is XFEZXGVZPMAJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(8-15)9-17(2)10-14(18)16-12-4-6-13(19-3)7-5-12/h4-7,11H,9-10H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide?
2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 47117936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).