2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide

C19H30N2O — CID 78900507

IUPAC2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(Cc1ccc(C)c(C)c1)C1CC1
InChIInChI=1S/C19H30N2O/c1-6-19(4,5)20-18(22)13-21(17-9-10-17)12-16-8-7-14(2)15(3)11-16/h7-8,11,17H,6,9-10,12-13H2,1-5H3,(H,20,22)
InChIKeyZEECIJKRLNBWKH-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.57
Rot. Bonds7

About 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide

2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 78900507) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID78900507
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN(Cc1ccc(C)c(C)c1)C1CC1
InChIInChI=1S/C19H30N2O/c1-6-19(4,5)20-18(22)13-21(17-9-10-17)12-16-8-7-14(2)15(3)11-16/h7-8,11,17H,6,9-10,12-13H2,1-5H3,(H,20,22)
InChIKeyZEECIJKRLNBWKH-UHFFFAOYSA-N
XLogP3.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-prop-2-enylacetamide
CID 78900344
2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 61486524
2-[(1,1-dioxothiolan-3-yl)-[(4-methoxyphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 51260857
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 102677025
N-(2-methylbutan-2-yl)-2-[methyl-[4-(methylamino)cyclohexyl]amino]acetamide
CID 79122523
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858
N-(2-chloroethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutanamine
CID 102861334
N-tert-butyl-2-[[2-[(4-chlorophenyl)methyl-cyclopropylamino]acetyl]-methylamino]acetamide
CID 55828636
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205
2-[cyclopropyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]acetic acid
CID 65057571
2-[benzyl(cyclopropyl)amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 51728153

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide (CID 78900507) is 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN(Cc1ccc(C)c(C)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is ZEECIJKRLNBWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-6-19(4,5)20-18(22)13-21(17-9-10-17)12-16-8-7-14(2)15(3)11-16/h7-8,11,17H,6,9-10,12-13H2,1-5H3,(H,20,22).
What are the key properties of 2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide?
2-[cyclopropyl-[(3,4-dimethylphenyl)methyl]amino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 302.46 g/mol, XLogP of 3.57, 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-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 78900507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).