N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide

C14H19N3O — CID 62832358

IUPACN-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C14H19N3O/c1-4-16-14(2,3)13(18)17-12-7-5-11(6-8-12)9-10-15/h5-8,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyBTXXIXRYLLPVAL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.08
Rot. Bonds5

About N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide

N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide (PubChem CID 62832358) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
PubChem CID62832358
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C14H19N3O/c1-4-16-14(2,3)13(18)17-12-7-5-11(6-8-12)9-10-15/h5-8,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyBTXXIXRYLLPVAL-UHFFFAOYSA-N
XLogP2.08
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide
CID 55057277
2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide
CID 62303424
2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 62833542
N-[4-(cyanomethyl)phenyl]-3,3-dimethylbutanamide
CID 55021427
2-(ethylamino)-2-methyl-N-(4-methylsulfonylphenyl)propanamide
CID 55121565
(2S)-2-amino-N-[4-(cyanomethyl)phenyl]butanamide
CID 79024375
2-[4-(ethylamino)phenyl]acetonitrile
CID 43229025
2-[[4-(cyanomethyl)phenyl]carbamoylamino]-2-methylpentanoic acid
CID 62301210
N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide
CID 60731315
N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 14253808
N-[4-(cyanomethyl)phenyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104641096
2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62832697

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide (CID 62832358) is N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide?
The InChIKey is BTXXIXRYLLPVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-16-14(2,3)13(18)17-12-7-5-11(6-8-12)9-10-15/h5-8,16H,4,9H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide?
N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide has a molecular weight of 245.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62832358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).