3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide

C13H18N2O — CID 80551795

IUPAC3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-3-9-15-13(16)10(2)12(14)11-7-5-4-6-8-11/h3-8,10,12H,1,9,14H2,2H3,(H,15,16)
InChIKeySUFIVNXYPMJJJK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.62
Rot. Bonds5

About 3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide

3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide (PubChem CID 80551795) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
PubChem CID80551795
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-3-9-15-13(16)10(2)12(14)11-7-5-4-6-8-11/h3-8,10,12H,1,9,14H2,2H3,(H,15,16)
InChIKeySUFIVNXYPMJJJK-UHFFFAOYSA-N
XLogP1.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.62
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-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide
CID 106398232
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
CID 106175749
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
3-amino-2-methyl-N-(2-methyl-2-phenylpropyl)-3-phenylpropanamide
CID 119724309
4-amino-4-phenyl-N-prop-2-enylbutanamide
CID 63323887
5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 82014367
3-amino-N-(5,5-dimethylhexyl)-2-methyl-3-phenylpropanamide
CID 119775743

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide (CID 80551795) is 3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide?
The InChIKey is SUFIVNXYPMJJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-9-15-13(16)10(2)12(14)11-7-5-4-6-8-11/h3-8,10,12H,1,9,14H2,2H3,(H,15,16).
What are the key properties of 3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide?
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide has a molecular weight of 218.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 80551795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).