2-cyano-N-propan-2-yl-N-propylacetamide

C9H16N2O — CID 43269670

IUPAC2-cyano-N-propan-2-yl-N-propylacetamide
SMILESCCCN(C(=O)CC#N)C(C)C
InChIInChI=1S/C9H16N2O/c1-4-7-11(8(2)3)9(12)5-6-10/h8H,4-5,7H2,1-3H3
InChIKeyLPKQIOMCRIAMDK-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.55
Rot. Bonds4

About 2-cyano-N-propan-2-yl-N-propylacetamide

2-cyano-N-propan-2-yl-N-propylacetamide (PubChem CID 43269670) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-cyano-N-propan-2-yl-N-propylacetamide.

Molecular Properties

Compound Name2-cyano-N-propan-2-yl-N-propylacetamide
PubChem CID43269670
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-cyano-N-propan-2-yl-N-propylacetamide
SMILESCCCN(C(=O)CC#N)C(C)C
InChIInChI=1S/C9H16N2O/c1-4-7-11(8(2)3)9(12)5-6-10/h8H,4-5,7H2,1-3H3
InChIKeyLPKQIOMCRIAMDK-UHFFFAOYSA-N
XLogP1.55
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;ethyl 2-[(2-cyanoacetyl)-propan-2-ylamino]acetate
CID 170570680
3-amino-N-propan-2-yl-N-propylpropanamide
CID 43269470
3-chloro-N-propan-2-yl-N-propylpropanamide
CID 43269467
2-ethoxy-N-propan-2-yl-N-propylacetamide
CID 64590968
N-benzyl-2-cyano-N-propan-2-ylacetamide
CID 24702925
2-(4-cyanophenoxy)-N-propan-2-yl-N-propylacetamide
CID 43269672
1-cyano-N-propan-2-yl-N-propylcyclopentane-1-carboxamide
CID 55135248
2-piperidin-4-yl-N-propan-2-yl-N-propylacetamide
CID 43269799
6-amino-N-propan-2-yl-N-propylhexanamide
CID 43269620
2-cyano-N-(1-hydroxyethyl)-N-methylacetamide
CID 88839105
N-(cyanomethyl)-N-propan-2-yldecanamide
CID 65449531
2-(2-aminoethoxy)-N-propan-2-yl-N-propylacetamide
CID 79479983

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-propan-2-yl-N-propylacetamide?
The IUPAC name of 2-cyano-N-propan-2-yl-N-propylacetamide (CID 43269670) is 2-cyano-N-propan-2-yl-N-propylacetamide.
What is the SMILES notation for 2-cyano-N-propan-2-yl-N-propylacetamide?
The canonical SMILES for 2-cyano-N-propan-2-yl-N-propylacetamide is CCCN(C(=O)CC#N)C(C)C.
What is the InChIKey of 2-cyano-N-propan-2-yl-N-propylacetamide?
The InChIKey is LPKQIOMCRIAMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-7-11(8(2)3)9(12)5-6-10/h8H,4-5,7H2,1-3H3.
What are the key properties of 2-cyano-N-propan-2-yl-N-propylacetamide?
2-cyano-N-propan-2-yl-N-propylacetamide has a molecular weight of 168.24 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-propan-2-yl-N-propylacetamide is sourced from PubChem (CID 43269670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).