2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid

C19H27NO5 — CID 120552545

IUPAC2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid
SMILESCCC1(CC)C(NC(=O)c2cccc(OCC(=O)O)c2)C(C)C1OC
InChIInChI=1S/C19H27NO5/c1-5-19(6-2)16(12(3)17(19)24-4)20-18(23)13-8-7-9-14(10-13)25-11-15(21)22/h7-10,12,16-17H,5-6,11H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyRKKCJHLHSVHQHA-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.72
Rot. Bonds8

About 2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid

2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid (PubChem CID 120552545) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid
PubChem CID120552545
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid
SMILESCCC1(CC)C(NC(=O)c2cccc(OCC(=O)O)c2)C(C)C1OC
InChIInChI=1S/C19H27NO5/c1-5-19(6-2)16(12(3)17(19)24-4)20-18(23)13-8-7-9-14(10-13)25-11-15(21)22/h7-10,12,16-17H,5-6,11H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyRKKCJHLHSVHQHA-UHFFFAOYSA-N
XLogP2.72
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]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-[3-[(3-methoxy-2,2,4-trimethylcyclobutyl)carbamoyl]phenoxy]acetic acid
CID 120552693
2-[3-[(4-methoxy-1,1-dioxothiolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 136552214
2-[3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]phenoxy]acetic acid
CID 120550972
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
2-[3-[(3-ethoxyspiro[3.5]nonan-1-yl)carbamoyl]phenoxy]acetic acid
CID 119186774
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
2-[3-[(2-benzylcyclopentyl)carbamoyl]phenoxy]acetic acid
CID 119185869
2-[3-[(1-cyclopropylcyclobutyl)methylcarbamoyl]phenoxy]acetic acid
CID 120699051
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
2-[3-(2-aminoacetyl)phenoxy]acetic acid
CID 70628823
2-[3-[[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 167800809
2-[3-[(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoyl]phenoxy]acetic acid
CID 120552679

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid (CID 120552545) is 2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid is CCC1(CC)C(NC(=O)c2cccc(OCC(=O)O)c2)C(C)C1OC.
What is the InChIKey of 2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid?
The InChIKey is RKKCJHLHSVHQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-5-19(6-2)16(12(3)17(19)24-4)20-18(23)13-8-7-9-14(10-13)25-11-15(21)22/h7-10,12,16-17H,5-6,11H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of 2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid?
2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid has a molecular weight of 349.43 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 120552545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).