N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide

C15H22N2O — CID 78914540

IUPACN-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)Cc1ccc(C)cc1C
InChIInChI=1S/C15H22N2O/c1-5-8-16-10-15(18)17(4)11-14-7-6-12(2)9-13(14)3/h5-7,9,16H,1,8,10-11H2,2-4H3
InChIKeyHSODSNULVPZAEE-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.04
Rot. Bonds6

About N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide

N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide (PubChem CID 78914540) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
PubChem CID78914540
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)Cc1ccc(C)cc1C
InChIInChI=1S/C15H22N2O/c1-5-8-16-10-15(18)17(4)11-14-7-6-12(2)9-13(14)3/h5-7,9,16H,1,8,10-11H2,2-4H3
InChIKeyHSODSNULVPZAEE-UHFFFAOYSA-N
XLogP2.04
TPSA32.34 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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
N-[(4-bromophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
CID 78908264
4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 9227980
(E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9228047
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78914551
2-[[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 9037765
N-[(2,4-dimethylphenyl)methyl]-N-methylbut-2-enamide
CID 78911940
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 43346985
N-[(4-cyanophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
CID 79285400
6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
CID 60940329
N-[(4-tert-butyl-2-methylphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151986

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide (CID 78914540) is N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N(C)Cc1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide?
The InChIKey is HSODSNULVPZAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-8-16-10-15(18)17(4)11-14-7-6-12(2)9-13(14)3/h5-7,9,16H,1,8,10-11H2,2-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide?
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide has a molecular weight of 246.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78914540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).