2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide

C12H21N3O3 — CID 113410594

IUPAC2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide
SMILESCCCC(C#N)C(=O)NCCC(=O)NCCOC
InChIInChI=1S/C12H21N3O3/c1-3-4-10(9-13)12(17)15-6-5-11(16)14-7-8-18-2/h10H,3-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWRUISSYQKUIHCK-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.20
Rot. Bonds9

About 2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide

2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide (PubChem CID 113410594) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide.

Molecular Properties

Compound Name2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide
PubChem CID113410594
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide
SMILESCCCC(C#N)C(=O)NCCC(=O)NCCOC
InChIInChI=1S/C12H21N3O3/c1-3-4-10(9-13)12(17)15-6-5-11(16)14-7-8-18-2/h10H,3-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWRUISSYQKUIHCK-UHFFFAOYSA-N
XLogP0.20
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
2-cyano-N-(2-methoxyethoxy)pentanamide
CID 107857047
3-(heptan-4-ylamino)-N-(2-methoxyethyl)propanamide
CID 115676517
2-methoxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 112686354
3-(diethylcarbamoylamino)-N-(2-methoxyethyl)propanamide
CID 113226661
2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide
CID 112700885
N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
CID 107034705
3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide
CID 103367520
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid
CID 116537456
N-(2-methoxyethyl)-3-(octan-2-ylamino)propanamide
CID 115712027

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide?
The IUPAC name of 2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide (CID 113410594) is 2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide.
What is the SMILES notation for 2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide?
The canonical SMILES for 2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide is CCCC(C#N)C(=O)NCCC(=O)NCCOC.
What is the InChIKey of 2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide?
The InChIKey is WRUISSYQKUIHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-4-10(9-13)12(17)15-6-5-11(16)14-7-8-18-2/h10H,3-8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide?
2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide has a molecular weight of 255.32 g/mol, XLogP of 0.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(2-methoxyethylamino)-3-oxopropyl]pentanamide is sourced from PubChem (CID 113410594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).