2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid

C17H23NO5 — CID 120538058

IUPAC2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid
SMILESCC1CC(C(=O)N(C)Cc2ccc(OCC(=O)O)cc2)CCO1
InChIInChI=1S/C17H23NO5/c1-12-9-14(7-8-22-12)17(21)18(2)10-13-3-5-15(6-4-13)23-11-16(19)20/h3-6,12,14H,7-11H2,1-2H3,(H,19,20)
InChIKeyQOUMFJGKVVWDPB-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.92
Rot. Bonds6

About 2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid

2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid (PubChem CID 120538058) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid
PubChem CID120538058
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid
SMILESCC1CC(C(=O)N(C)Cc2ccc(OCC(=O)O)cc2)CCO1
InChIInChI=1S/C17H23NO5/c1-12-9-14(7-8-22-12)17(21)18(2)10-13-3-5-15(6-4-13)23-11-16(19)20/h3-6,12,14H,7-11H2,1-2H3,(H,19,20)
InChIKeyQOUMFJGKVVWDPB-UHFFFAOYSA-N
XLogP1.92
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[(4,4-difluorocyclohexanecarbonyl)-methylamino]methyl]phenoxy]acetic acid
CID 120538094
2-[4-[[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]methyl]phenoxy]acetic acid
CID 120538080
2-[(4-fluorophenyl)methyl-[(2R,4S)-2-methyloxane-4-carbonyl]amino]acetic acid
CID 129468889
2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid
CID 129468888
3-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119681006
4-amino-N-[(4-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60936865
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631044
3-[(4-hydroxyphenyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 154832958
2-[4-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]phenoxy]acetic acid
CID 91784125
2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid
CID 138043891
2-[4-[[methyl-[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]methyl]phenoxy]acetic acid
CID 120538082
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 75371472

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid (CID 120538058) is 2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid is CC1CC(C(=O)N(C)Cc2ccc(OCC(=O)O)cc2)CCO1.
What is the InChIKey of 2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid?
The InChIKey is QOUMFJGKVVWDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-12-9-14(7-8-22-12)17(21)18(2)10-13-3-5-15(6-4-13)23-11-16(19)20/h3-6,12,14H,7-11H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid?
2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid has a molecular weight of 321.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 120538058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).