3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate

C17H26N2O3 — CID 74329592

IUPAC3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate
SMILESCC(C)CCOC(=O)C(NC(=O)CN(C)C)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-13(2)10-11-22-17(21)16(14-8-6-5-7-9-14)18-15(20)12-19(3)4/h5-9,13,16H,10-12H2,1-4H3,(H,18,20)
InChIKeyFURGJKZATREMGZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.99
Rot. Bonds8

About 3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate

3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate (PubChem CID 74329592) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate.

Molecular Properties

Compound Name3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate
PubChem CID74329592
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate
SMILESCC(C)CCOC(=O)C(NC(=O)CN(C)C)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-13(2)10-11-22-17(21)16(14-8-6-5-7-9-14)18-15(20)12-19(3)4/h5-9,13,16H,10-12H2,1-4H3,(H,18,20)
InChIKeyFURGJKZATREMGZ-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-methylbutyl (2S)-2-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]acetate
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2-(dimethylamino)-N-[2-[[2-(dimethylamino)acetyl]amino]-3-phenylbutyl]acetamide
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3-methylbutyl 2-amino-3-phenylpropanoate
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methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
2-(dimethylamino)-N-[(1R)-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate?
The IUPAC name of 3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate (CID 74329592) is 3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate.
What is the SMILES notation for 3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate?
The canonical SMILES for 3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate is CC(C)CCOC(=O)C(NC(=O)CN(C)C)c1ccccc1.
What is the InChIKey of 3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate?
The InChIKey is FURGJKZATREMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13(2)10-11-22-17(21)16(14-8-6-5-7-9-14)18-15(20)12-19(3)4/h5-9,13,16H,10-12H2,1-4H3,(H,18,20).
What are the key properties of 3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate?
3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate has a molecular weight of 306.41 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 2-[[2-(dimethylamino)acetyl]amino]-2-phenylacetate is sourced from PubChem (CID 74329592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).