3-cyano-N-(2-methylpropyl)propanamide

C8H14N2O — CID 82111206

IUPAC3-cyano-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCC#N
InChIInChI=1S/C8H14N2O/c1-7(2)6-10-8(11)4-3-5-9/h7H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyJMNKTBHDIZWWLZ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.06
Rot. Bonds4

About 3-cyano-N-(2-methylpropyl)propanamide

3-cyano-N-(2-methylpropyl)propanamide (PubChem CID 82111206) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-cyano-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-cyano-N-(2-methylpropyl)propanamide
PubChem CID82111206
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-cyano-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCC#N
InChIInChI=1S/C8H14N2O/c1-7(2)6-10-8(11)4-3-5-9/h7H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyJMNKTBHDIZWWLZ-UHFFFAOYSA-N
XLogP1.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-(2-methylpropyl)butanamide
CID 82111297
3-cyano-N-(3,3-dimethylbutyl)propanamide
CID 115173922
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
(3R,5S)-1-N,3-N,5-N,7-N-tetrakis(2-methylpropyl)heptane-1,3,5,7-tetracarboxamide
CID 102254878
N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid
CID 114898951
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
N-(2-cyanoethyl)butanamide
CID 14899794
5-amino-N-(3-cyanopropyl)-4-methylpentanamide
CID 82010988

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-cyano-N-(2-methylpropyl)propanamide (CID 82111206) is 3-cyano-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-cyano-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-cyano-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCC#N.
What is the InChIKey of 3-cyano-N-(2-methylpropyl)propanamide?
The InChIKey is JMNKTBHDIZWWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(2)6-10-8(11)4-3-5-9/h7H,3-4,6H2,1-2H3,(H,10,11).
What are the key properties of 3-cyano-N-(2-methylpropyl)propanamide?
3-cyano-N-(2-methylpropyl)propanamide has a molecular weight of 154.21 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 82111206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).