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

C14H18N4O2 — CID 42957830

IUPAC2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C14H18N4O2/c1-10(13(19)17-14(20)16-2)18(3)9-12-6-4-5-11(7-12)8-15/h4-7,10H,9H2,1-3H3,(H2,16,17,19,20)
InChIKeyOGYREGKISUWESN-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.83
Rot. Bonds4

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

2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 42957830) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID42957830
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)Cc1cccc(C#N)c1
InChIInChI=1S/C14H18N4O2/c1-10(13(19)17-14(20)16-2)18(3)9-12-6-4-5-11(7-12)8-15/h4-7,10H,9H2,1-3H3,(H2,16,17,19,20)
InChIKeyOGYREGKISUWESN-UHFFFAOYSA-N
XLogP0.83
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 43458016
2-[(3-cyanophenyl)methyl-methylamino]propanamide
CID 47170731
(2R)-N-(methylcarbamoyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 94469192
2-(3-cyano-N-methylanilino)-N-(methylcarbamoyl)propanamide
CID 55141191
(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 9024362
(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8907646
(2R)-2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 9251723
(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(3-cyanophenyl)methyl-methylamino]propanamide
CID 95155713
3-[(3-cyanophenyl)methyl-methylamino]butanehydrazide
CID 63583351
3-[[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]methyl]benzonitrile
CID 62981876
2-[(3-cyanophenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55628443
3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzonitrile
CID 54942878

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide (CID 42957830) is 2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N(C)Cc1cccc(C#N)c1.
What is the InChIKey of 2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is OGYREGKISUWESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(13(19)17-14(20)16-2)18(3)9-12-6-4-5-11(7-12)8-15/h4-7,10H,9H2,1-3H3,(H2,16,17,19,20).
What are the key properties of 2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide?
2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 274.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 42957830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).