2-[(3-cyanophenyl)methyl-methylamino]propanamide

C12H15N3O — CID 47170731

IUPAC2-[(3-cyanophenyl)methyl-methylamino]propanamide
SMILESCC(C(N)=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C12H15N3O/c1-9(12(14)16)15(2)8-11-5-3-4-10(6-11)7-13/h3-6,9H,8H2,1-2H3,(H2,14,16)
InChIKeyHYVKDFIWXKIPKE-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.86
Rot. Bonds4

About 2-[(3-cyanophenyl)methyl-methylamino]propanamide

2-[(3-cyanophenyl)methyl-methylamino]propanamide (PubChem CID 47170731) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)methyl-methylamino]propanamide
PubChem CID47170731
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[(3-cyanophenyl)methyl-methylamino]propanamide
SMILESCC(C(N)=O)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C12H15N3O/c1-9(12(14)16)15(2)8-11-5-3-4-10(6-11)7-13/h3-6,9H,8H2,1-2H3,(H2,14,16)
InChIKeyHYVKDFIWXKIPKE-UHFFFAOYSA-N
XLogP0.86
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 42957830
3-[(3-cyanophenyl)methyl-methylamino]butanehydrazide
CID 63583351
3-[[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]methyl]benzonitrile
CID 62981876
3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzonitrile
CID 54942878
3-[(3-cyanophenyl)methyl-methylamino]-2-methyl-3-oxopropanoic acid
CID 114897529
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide
CID 95155713
2-chloro-N-[(3-cyanophenyl)methyl]-N-methylacetamide
CID 60949916
2-amino-1-[(3-cyanophenyl)methyl]-1-methylguanidine
CID 77058539
2-[(3-cyanophenyl)methyl-methylamino]acetohydrazide
CID 63585387
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
CID 93370152
3-amino-4-[(3-cyanophenyl)methyl-methylamino]-4-oxobutanoic acid
CID 64895922

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)methyl-methylamino]propanamide?
The IUPAC name of 2-[(3-cyanophenyl)methyl-methylamino]propanamide (CID 47170731) is 2-[(3-cyanophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for 2-[(3-cyanophenyl)methyl-methylamino]propanamide?
The canonical SMILES for 2-[(3-cyanophenyl)methyl-methylamino]propanamide is CC(C(N)=O)N(C)Cc1cccc(C#N)c1.
What is the InChIKey of 2-[(3-cyanophenyl)methyl-methylamino]propanamide?
The InChIKey is HYVKDFIWXKIPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(12(14)16)15(2)8-11-5-3-4-10(6-11)7-13/h3-6,9H,8H2,1-2H3,(H2,14,16).
What are the key properties of 2-[(3-cyanophenyl)methyl-methylamino]propanamide?
2-[(3-cyanophenyl)methyl-methylamino]propanamide has a molecular weight of 217.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 47170731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).