3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide

C14H19N3O2 — CID 103829256

IUPAC3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C14H19N3O2/c1-16-14(18)6-7-17(2)10-11-4-5-13(19-3)12(8-11)9-15/h4-5,8H,6-7,10H2,1-3H3,(H,16,18)
InChIKeyJXXXWEWRLXARNO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.13
Rot. Bonds6

About 3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide

3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide (PubChem CID 103829256) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
PubChem CID103829256
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)Cc1ccc(OC)c(C#N)c1
InChIInChI=1S/C14H19N3O2/c1-16-14(18)6-7-17(2)10-11-4-5-13(19-3)12(8-11)9-15/h4-5,8H,6-7,10H2,1-3H3,(H,16,18)
InChIKeyJXXXWEWRLXARNO-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyano-4-methoxyphenyl)methyl-propylamino]-N-methylacetamide
CID 65343735
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 106788019
3-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103737026
2-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-propylacetamide
CID 65344306
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]acetic acid
CID 106792478
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 106788145
5-[2-(dimethylamino)ethyl]-2-methoxybenzonitrile
CID 117292810
2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile
CID 65344446
3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 65341239
N-(3-cyanothiophen-2-yl)-3-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8761244
methyl 3-[(3-cyano-4-methoxyphenyl)methylsulfanyl]propanoate
CID 65341750
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide (CID 103829256) is 3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)Cc1ccc(OC)c(C#N)c1.
What is the InChIKey of 3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The InChIKey is JXXXWEWRLXARNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-14(18)6-7-17(2)10-11-4-5-13(19-3)12(8-11)9-15/h4-5,8H,6-7,10H2,1-3H3,(H,16,18).
What are the key properties of 3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 103829256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).