2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid

C16H23NO4 — CID 103497587

IUPAC2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
SMILESCc1ccccc1OCCN(C)C(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C16H23NO4/c1-11-7-5-6-8-14(11)21-10-9-17(4)15(18)12(2)13(3)16(19)20/h5-8,12-13H,9-10H2,1-4H3,(H,19,20)
InChIKeyQGUOWGSHRKBETE-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.19
Rot. Bonds7

About 2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid

2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid (PubChem CID 103497587) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
PubChem CID103497587
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
SMILESCc1ccccc1OCCN(C)C(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C16H23NO4/c1-11-7-5-6-8-14(11)21-10-9-17(4)15(18)12(2)13(3)16(19)20/h5-8,12-13H,9-10H2,1-4H3,(H,19,20)
InChIKeyQGUOWGSHRKBETE-UHFFFAOYSA-N
XLogP2.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
CID 86909740
3-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695605
3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
CID 62964902
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 54869691
2-(azetidin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]propanamide
CID 116676237
2-anilino-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 119695619
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiophen-2-ylacetamide
CID 115286553
2-chloro-N-[(2S)-1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
CID 46688396
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653
2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838634

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid?
The IUPAC name of 2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid (CID 103497587) is 2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid is Cc1ccccc1OCCN(C)C(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid?
The InChIKey is QGUOWGSHRKBETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-7-5-6-8-14(11)21-10-9-17(4)15(18)12(2)13(3)16(19)20/h5-8,12-13H,9-10H2,1-4H3,(H,19,20).
What are the key properties of 2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid?
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 103497587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).