2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid

C16H23NO4 — CID 61329225

IUPAC2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid
SMILESCC(C)(C)CC(NC(=O)COCC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-16(2,3)9-13(12-7-5-4-6-8-12)17-14(18)10-21-11-15(19)20/h4-8,13H,9-11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyJVFWINHQAFBIPK-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.38
Rot. Bonds7

About 2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid

2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61329225) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61329225
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid
SMILESCC(C)(C)CC(NC(=O)COCC(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-16(2,3)9-13(12-7-5-4-6-8-12)17-14(18)10-21-11-15(19)20/h4-8,13H,9-11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyJVFWINHQAFBIPK-UHFFFAOYSA-N
XLogP2.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,3-dimethyl-1-phenylbutyl)butanamide
CID 60837199
4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid
CID 60825345
N-(2-amino-1-phenylethyl)-2-ethoxyacetamide
CID 63755765
2-(butan-2-ylamino)-N-(3,3-dimethyl-1-phenylbutyl)acetamide
CID 60853926
3-[[2-(2-methoxyethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 43358425
2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944946
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
N-(3,3-dimethyl-1-phenylbutyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 55690067
2-amino-N-(3,3-dimethyl-1-phenylbutyl)-3,3-dimethylbutanamide
CID 76893437
N-(3-methyl-1-phenylbutyl)-2-phenylmethoxyacetamide
CID 55371721
N-(3,3-dimethyl-1-phenylbutyl)-2-methyl-3-(methylamino)propanamide
CID 79196257

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid (CID 61329225) is 2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid is CC(C)(C)CC(NC(=O)COCC(=O)O)c1ccccc1.
What is the InChIKey of 2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is JVFWINHQAFBIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2,3)9-13(12-7-5-4-6-8-12)17-14(18)10-21-11-15(19)20/h4-8,13H,9-11H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,3-dimethyl-1-phenylbutyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).