3-(tert-butylamino)-N-(3-cyanophenyl)propanamide

C14H19N3O — CID 60716477

IUPAC3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H19N3O/c1-14(2,3)16-8-7-13(18)17-12-6-4-5-11(9-12)10-15/h4-6,9,16H,7-8H2,1-3H3,(H,17,18)
InChIKeyGGKSJTCHXLLIJI-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.27
Rot. Bonds4

About 3-(tert-butylamino)-N-(3-cyanophenyl)propanamide

3-(tert-butylamino)-N-(3-cyanophenyl)propanamide (PubChem CID 60716477) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
PubChem CID60716477
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
SMILESCC(C)(C)NCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H19N3O/c1-14(2,3)16-8-7-13(18)17-12-6-4-5-11(9-12)10-15/h4-6,9,16H,7-8H2,1-3H3,(H,17,18)
InChIKeyGGKSJTCHXLLIJI-UHFFFAOYSA-N
XLogP2.27
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
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3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
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N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035241
3-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040576
N-(3-cyanophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042534
N-(3-cyanophenyl)octanamide
CID 4958584
3-(3-cyanoanilino)-N-methylpropanamide
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N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-(3-cyanophenyl)propanamide?
The IUPAC name of 3-(tert-butylamino)-N-(3-cyanophenyl)propanamide (CID 60716477) is 3-(tert-butylamino)-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-(3-cyanophenyl)propanamide is CC(C)(C)NCCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 3-(tert-butylamino)-N-(3-cyanophenyl)propanamide?
The InChIKey is GGKSJTCHXLLIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,3)16-8-7-13(18)17-12-6-4-5-11(9-12)10-15/h4-6,9,16H,7-8H2,1-3H3,(H,17,18).
What are the key properties of 3-(tert-butylamino)-N-(3-cyanophenyl)propanamide?
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide has a molecular weight of 245.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 60716477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).