N-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide

C14H20N2O — CID 80506602

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

About N-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide

N-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide (PubChem CID 80506602) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide
PubChem CID80506602
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCCC(N)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-11(2)10-14(17)16-9-8-13(15)12-6-4-3-5-7-12/h3-7,10,13H,8-9,15H2,1-2H3,(H,16,17)
InChIKeyYPJZRRVHLIUQCG-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-diphenylpropyl)-3-methylbut-2-enamide
CID 30707802
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(3-amino-3-phenylpropyl)octanamide
CID 80506646
N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide
CID 114221825
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
N-(3-amino-3-phenylpropyl)-3-phenylpropanamide
CID 80505663
N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide
CID 107705147
3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide
CID 114155639
N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide
CID 80507148
N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide
CID 80506792
N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 80505709

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide (CID 80506602) is N-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide is CC(C)=CC(=O)NCCC(N)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide?
The InChIKey is YPJZRRVHLIUQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(2)10-14(17)16-9-8-13(15)12-6-4-3-5-7-12/h3-7,10,13H,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide?
N-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide 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 N-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide is sourced from PubChem (CID 80506602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).