N-tert-butyl-3-(4-cyanoanilino)propanamide

C14H19N3O — CID 109031416

IUPACN-tert-butyl-3-(4-cyanoanilino)propanamide
SMILESCC(C)(C)NC(=O)CCNc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-14(2,3)17-13(18)8-9-16-12-6-4-11(10-15)5-7-12/h4-7,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyRCJUEJGUIKDDET-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.27
Rot. Bonds4

About N-tert-butyl-3-(4-cyanoanilino)propanamide

N-tert-butyl-3-(4-cyanoanilino)propanamide (PubChem CID 109031416) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-tert-butyl-3-(4-cyanoanilino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-cyanoanilino)propanamide
PubChem CID109031416
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-tert-butyl-3-(4-cyanoanilino)propanamide
SMILESCC(C)(C)NC(=O)CCNc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-14(2,3)17-13(18)8-9-16-12-6-4-11(10-15)5-7-12/h4-7,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyRCJUEJGUIKDDET-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

3-(4-cyanoanilino)-N-methylpropanamide
CID 60967721
N-tert-butyl-3-(4-fluoroanilino)propanamide
CID 109031342
N-tert-butyl-3-(4-methylanilino)propanamide
CID 109031320
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
methyl 3-(4-cyanoanilino)propanoate
CID 43243076
3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016336
3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 109041719
3-(4-cyanoanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039917
3-(4-cyanoanilino)-N,N-diethylpropanamide
CID 54936059
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
3-(4-cyanoanilino)-N-(2-cyanophenyl)propanamide
CID 109042807
N-tert-butyl-3-[(2-chloro-4-cyanophenyl)methylamino]propanamide
CID 102665024

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-cyanoanilino)propanamide?
The IUPAC name of N-tert-butyl-3-(4-cyanoanilino)propanamide (CID 109031416) is N-tert-butyl-3-(4-cyanoanilino)propanamide.
What is the SMILES notation for N-tert-butyl-3-(4-cyanoanilino)propanamide?
The canonical SMILES for N-tert-butyl-3-(4-cyanoanilino)propanamide is CC(C)(C)NC(=O)CCNc1ccc(C#N)cc1.
What is the InChIKey of N-tert-butyl-3-(4-cyanoanilino)propanamide?
The InChIKey is RCJUEJGUIKDDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(2,3)17-13(18)8-9-16-12-6-4-11(10-15)5-7-12/h4-7,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-tert-butyl-3-(4-cyanoanilino)propanamide?
N-tert-butyl-3-(4-cyanoanilino)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 N-tert-butyl-3-(4-cyanoanilino)propanamide is sourced from PubChem (CID 109031416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).