2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide

C15H22N2O — CID 39349341

IUPAC2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(C(C)C)cc1)C(=O)CN
InChIInChI=1S/C15H22N2O/c1-4-9-17(15(18)10-16)11-13-5-7-14(8-6-13)12(2)3/h4-8,12H,1,9-11,16H2,2-3H3
InChIKeyUNGIACWRSZCXIW-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.28
Rot. Bonds6

About 2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide

2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide (PubChem CID 39349341) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
PubChem CID39349341
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(C(C)C)cc1)C(=O)CN
InChIInChI=1S/C15H22N2O/c1-4-9-17(15(18)10-16)11-13-5-7-14(8-6-13)12(2)3/h4-8,12H,1,9-11,16H2,2-3H3
InChIKeyUNGIACWRSZCXIW-UHFFFAOYSA-N
XLogP2.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.28
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

2-chloro-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
CID 39365300
2-amino-N-butan-2-yl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 112501771
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78914551
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride
CID 119741696
2-[(4-propan-2-ylphenyl)methyl-prop-2-enylamino]ethanol
CID 115631692
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylacetamide
CID 60718665
4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
CID 119299364
3-amino-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 62671042
3-amino-N-[(3-methylphenyl)methyl]-N-prop-2-enylpropanamide
CID 92930005
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
prop-2-enyl 2-(4-propan-2-ylphenyl)acetate
CID 175438226
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231087

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide (CID 39349341) is 2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide is C=CCN(Cc1ccc(C(C)C)cc1)C(=O)CN.
What is the InChIKey of 2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide?
The InChIKey is UNGIACWRSZCXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-9-17(15(18)10-16)11-13-5-7-14(8-6-13)12(2)3/h4-8,12H,1,9-11,16H2,2-3H3.
What are the key properties of 2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide?
2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 39349341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).