2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide

C17H24N2O — CID 78900344

IUPAC2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(Cc1ccc(C)c(C)c1)C1CC1
InChIInChI=1S/C17H24N2O/c1-4-9-18-17(20)12-19(16-7-8-16)11-15-6-5-13(2)14(3)10-15/h4-6,10,16H,1,7-9,11-12H2,2-3H3,(H,18,20)
InChIKeyRNPDXEMJKXNNTR-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.57
Rot. Bonds7

About 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide

2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide (PubChem CID 78900344) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide
PubChem CID78900344
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(Cc1ccc(C)c(C)c1)C1CC1
InChIInChI=1S/C17H24N2O/c1-4-9-18-17(20)12-19(16-7-8-16)11-15-6-5-13(2)14(3)10-15/h4-6,10,16H,1,7-9,11-12H2,2-3H3,(H,18,20)
InChIKeyRNPDXEMJKXNNTR-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.57
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

N-butyl-2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]acetamide
CID 78900262
2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 78900507
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide
CID 60589490
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
N-(2-chloroethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutanamine
CID 102861334
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8906703
4-[[cyclopropyl(propyl)amino]methyl]-2-methylaniline
CID 43270531
2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 60504402
2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide
CID 113168044
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
CID 60514622
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide (CID 78900344) is 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(Cc1ccc(C)c(C)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide?
The InChIKey is RNPDXEMJKXNNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-9-18-17(20)12-19(16-7-8-16)11-15-6-5-13(2)14(3)10-15/h4-6,10,16H,1,7-9,11-12H2,2-3H3,(H,18,20).
What are the key properties of 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide?
2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide has a molecular weight of 272.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 78900344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).