3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide

C14H20N2O — CID 114155639

IUPAC3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide
SMILESCC(C)=CCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-11(2)8-9-16-14(17)10-13(15)12-6-4-3-5-7-12/h3-8,13H,9-10,15H2,1-2H3,(H,16,17)
InChIKeyFISKFEOULDBVBO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.16
Rot. Bonds5

About 3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide

3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide (PubChem CID 114155639) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide
PubChem CID114155639
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide
SMILESCC(C)=CCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-11(2)8-9-16-14(17)10-13(15)12-6-4-3-5-7-12/h3-8,13H,9-10,15H2,1-2H3,(H,16,17)
InChIKeyFISKFEOULDBVBO-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
3-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 62693740
3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide
CID 82724007
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762
3-amino-N-(2-methoxy-2-phenylethyl)-3-phenylpropanamide;hydrochloride
CID 119949370
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide
CID 115748650
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
CID 24694165

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide (CID 114155639) is 3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide is CC(C)=CCNC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide?
The InChIKey is FISKFEOULDBVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(2)8-9-16-14(17)10-13(15)12-6-4-3-5-7-12/h3-8,13H,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide?
3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide has a molecular weight of 232.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide is sourced from PubChem (CID 114155639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).