4-amino-4-phenyl-N-prop-2-enylbutanamide

C13H18N2O — CID 63323887

IUPAC4-amino-4-phenyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-2-10-15-13(16)9-8-12(14)11-6-4-3-5-7-11/h2-7,12H,1,8-10,14H2,(H,15,16)
InChIKeyUQLYIUFAAYFEAI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.77
Rot. Bonds6

About 4-amino-4-phenyl-N-prop-2-enylbutanamide

4-amino-4-phenyl-N-prop-2-enylbutanamide (PubChem CID 63323887) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-amino-4-phenyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-amino-4-phenyl-N-prop-2-enylbutanamide
PubChem CID63323887
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-amino-4-phenyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-2-10-15-13(16)9-8-12(14)11-6-4-3-5-7-11/h2-7,12H,1,8-10,14H2,(H,15,16)
InChIKeyUQLYIUFAAYFEAI-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.77
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

4-hydroxy-4-phenyl-N-prop-2-enylbutanamide
CID 112509842
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide
CID 114332251
4-amino-N-(2-methoxypropyl)-4-phenylbutanamide
CID 102695108
4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 63323737
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390
4-amino-N-(2-hydroxy-2-methylbutyl)-4-phenylbutanamide
CID 65106116
4-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 83176722
methyl 2-[(4-amino-4-phenylbutanoyl)amino]-3-methylbutanoate
CID 63324348

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-phenyl-N-prop-2-enylbutanamide?
The IUPAC name of 4-amino-4-phenyl-N-prop-2-enylbutanamide (CID 63323887) is 4-amino-4-phenyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-amino-4-phenyl-N-prop-2-enylbutanamide?
The canonical SMILES for 4-amino-4-phenyl-N-prop-2-enylbutanamide is C=CCNC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-4-phenyl-N-prop-2-enylbutanamide?
The InChIKey is UQLYIUFAAYFEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-10-15-13(16)9-8-12(14)11-6-4-3-5-7-11/h2-7,12H,1,8-10,14H2,(H,15,16).
What are the key properties of 4-amino-4-phenyl-N-prop-2-enylbutanamide?
4-amino-4-phenyl-N-prop-2-enylbutanamide has a molecular weight of 218.30 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-phenyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 63323887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).