2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide

C14H19N3O — CID 168520957

IUPAC2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide
SMILESCCN(CC)Cc1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C14H19N3O/c1-3-17(4-2)11-12-5-7-13(8-6-12)16-14(18)9-10-15/h5-8H,3-4,9,11H2,1-2H3,(H,16,18)
InChIKeyNUHWLQOAUCVTAV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.38
Rot. Bonds6

About 2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide

2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide (PubChem CID 168520957) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide
PubChem CID168520957
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide
SMILESCCN(CC)Cc1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C14H19N3O/c1-3-17(4-2)11-12-5-7-13(8-6-12)16-14(18)9-10-15/h5-8H,3-4,9,11H2,1-2H3,(H,16,18)
InChIKeyNUHWLQOAUCVTAV-UHFFFAOYSA-N
XLogP2.38
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
CID 145019649
methyl 2-[4-[(2-cyanoacetyl)amino]phenyl]acetate
CID 83290938
N-[4-(diethylaminomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 100516184
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
N-[4-(diethylaminomethyl)phenyl]-2-phenoxyacetamide
CID 959344
4-[(2-cyanoacetyl)amino]-N-methylbenzamide
CID 168524250
N-[4-[(carbamoylamino)methyl]phenyl]-2-cyanoacetamide
CID 168523403
4-[(2-cyanoacetyl)amino]-N-ethyl-N-phenylbenzamide
CID 168520814
2-cyano-N-(4-propylsulfanylphenyl)acetamide
CID 168521370
4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide
CID 959360

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide (CID 168520957) is 2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide is CCN(CC)Cc1ccc(NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide?
The InChIKey is NUHWLQOAUCVTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-17(4-2)11-12-5-7-13(8-6-12)16-14(18)9-10-15/h5-8H,3-4,9,11H2,1-2H3,(H,16,18).
What are the key properties of 2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide?
2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide has a molecular weight of 245.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(diethylaminomethyl)phenyl]acetamide is sourced from PubChem (CID 168520957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).