4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide

C24H30N2O3 — CID 46565913

IUPAC4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide
SMILESCCC(C)c1ccccc1OCC(=O)N(Cc1ccc(C(=O)NC)cc1)C1CC1
InChIInChI=1S/C24H30N2O3/c1-4-17(2)21-7-5-6-8-22(21)29-16-23(27)26(20-13-14-20)15-18-9-11-19(12-10-18)24(28)25-3/h5-12,17,20H,4,13-16H2,1-3H3,(H,25,28)
InChIKeyQOYLOIOUBZBDGO-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.13
Rot. Bonds9

About 4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide

4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide (PubChem CID 46565913) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide
PubChem CID46565913
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide
SMILESCCC(C)c1ccccc1OCC(=O)N(Cc1ccc(C(=O)NC)cc1)C1CC1
InChIInChI=1S/C24H30N2O3/c1-4-17(2)21-7-5-6-8-22(21)29-16-23(27)26(20-13-14-20)15-18-9-11-19(12-10-18)24(28)25-3/h5-12,17,20H,4,13-16H2,1-3H3,(H,25,28)
InChIKeyQOYLOIOUBZBDGO-UHFFFAOYSA-N
XLogP4.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33351847
4-[[[2-(4-bromo-2-fluorophenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide
CID 30797391
4-[[cyclopropyl-(2-naphthalen-2-ylacetyl)amino]methyl]-N-methylbenzamide
CID 33351222
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-cyclopropyl-2-(2-hydroxyphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 78813389
N-benzyl-N-cyclopropyl-2-(2-hydroxyphenoxy)acetamide
CID 78845177
N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide
CID 134062285
4-[[cyclopropyl-[(2S)-2-(cyclopropylmethoxy)propanoyl]amino]methyl]-N-methylbenzamide
CID 94823521
N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide
CID 55486518
4-[[[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003259
methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate
CID 52684721
2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone
CID 43413886

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide (CID 46565913) is 4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide is CCC(C)c1ccccc1OCC(=O)N(Cc1ccc(C(=O)NC)cc1)C1CC1.
What is the InChIKey of 4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide?
The InChIKey is QOYLOIOUBZBDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-17(2)21-7-5-6-8-22(21)29-16-23(27)26(20-13-14-20)15-18-9-11-19(12-10-18)24(28)25-3/h5-12,17,20H,4,13-16H2,1-3H3,(H,25,28).
What are the key properties of 4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide?
4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide has a molecular weight of 394.52 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2-butan-2-ylphenoxy)acetyl]-cyclopropylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 46565913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).