3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide

C14H20N2O — CID 92930005

IUPAC3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1cccc(C)c1)C(=O)CCN
InChIInChI=1S/C14H20N2O/c1-3-9-16(14(17)7-8-15)11-13-6-4-5-12(2)10-13/h3-6,10H,1,7-9,11,15H2,2H3
InChIKeyAXICYNQAVTYUDB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.86
Rot. Bonds6

About 3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide

3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide (PubChem CID 92930005) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide
PubChem CID92930005
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide
SMILESC=CCN(Cc1cccc(C)c1)C(=O)CCN
InChIInChI=1S/C14H20N2O/c1-3-9-16(14(17)7-8-15)11-13-6-4-5-12(2)10-13/h3-6,10H,1,7-9,11,15H2,2H3
InChIKeyAXICYNQAVTYUDB-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[(3-methylphenyl)methyl-prop-2-enylamino]-4-oxobut-2-enoic acid
CID 39360086
3-amino-N-[(3-nitrophenyl)methyl]-N-prop-2-enylpropanamide
CID 119308763
3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305396
N-ethyl-N-[(3-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285693
4-amino-N-[(3-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)butanamide
CID 119878034
2-(2-aminoethoxy)-N-ethyl-N-[(3-methylphenyl)methyl]acetamide
CID 79472813
4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
CID 119299364
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
methyl 4-[2-(3-methylphenyl)ethyl-prop-2-enylcarbamoyl]pent-4-enoate
CID 71534850
N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide
CID 62367401
1-(2-hydroxyethyl)-3-[(3-methylphenyl)methyl]-1-prop-2-enylurea
CID 111424149
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide?
The IUPAC name of 3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide (CID 92930005) is 3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide is C=CCN(Cc1cccc(C)c1)C(=O)CCN.
What is the InChIKey of 3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide?
The InChIKey is AXICYNQAVTYUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-9-16(14(17)7-8-15)11-13-6-4-5-12(2)10-13/h3-6,10H,1,7-9,11,15H2,2H3.
What are the key properties of 3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide?
3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide has a molecular weight of 232.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 92930005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).