2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide

C14H19N3O — CID 79813224

IUPAC2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide
SMILESCCC(N)(CC)C(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C14H19N3O/c1-4-14(16,5-2)13(18)17(3)12-8-6-7-11(9-12)10-15/h6-9H,4-5,16H2,1-3H3
InChIKeyCIULJTJFPVMMBZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.04
Rot. Bonds4

About 2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide

2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide (PubChem CID 79813224) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide
PubChem CID79813224
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide
SMILESCCC(N)(CC)C(=O)N(C)c1cccc(C#N)c1
InChIInChI=1S/C14H19N3O/c1-4-14(16,5-2)13(18)17(3)12-8-6-7-11(9-12)10-15/h6-9H,4-5,16H2,1-3H3
InChIKeyCIULJTJFPVMMBZ-UHFFFAOYSA-N
XLogP2.04
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867
2-amino-N-(3-cyanophenyl)-N-methylpropanamide
CID 62981812
N-(3-cyanophenyl)-N,2-dimethylpentanamide
CID 55151892
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
2-[carboxymethyl-[(3-cyanophenyl)-methylcarbamoyl]amino]acetic acid
CID 63645997
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
6-amino-N-(3-cyanophenyl)-N-methylhexanamide
CID 62983019
2-amino-N-(4-cyanophenyl)-N,2-dimethylbutanamide
CID 79811112
N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
CID 47407952
N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407929
N-(3-cyanophenyl)-N,4-dimethylpentanamide
CID 60588260
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide?
The IUPAC name of 2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide (CID 79813224) is 2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide?
The canonical SMILES for 2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide is CCC(N)(CC)C(=O)N(C)c1cccc(C#N)c1.
What is the InChIKey of 2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide?
The InChIKey is CIULJTJFPVMMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-14(16,5-2)13(18)17(3)12-8-6-7-11(9-12)10-15/h6-9H,4-5,16H2,1-3H3.
What are the key properties of 2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide?
2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide has a molecular weight of 245.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 79813224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).