2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid

C22H25NO6 — CID 119180543

IUPAC2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(Cc2ccccc2OC)C2CC2)ccc1OCC(=O)O
InChIInChI=1S/C22H25NO6/c1-3-28-20-12-15(8-11-19(20)29-14-21(24)25)22(26)23(17-9-10-17)13-16-6-4-5-7-18(16)27-2/h4-8,11-12,17H,3,9-10,13-14H2,1-2H3,(H,24,25)
InChIKeyIIKHJRKGFFFVKG-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.36
Rot. Bonds10

About 2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid

2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid (PubChem CID 119180543) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
PubChem CID119180543
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(Cc2ccccc2OC)C2CC2)ccc1OCC(=O)O
InChIInChI=1S/C22H25NO6/c1-3-28-20-12-15(8-11-19(20)29-14-21(24)25)22(26)23(17-9-10-17)13-16-6-4-5-7-18(16)27-2/h4-8,11-12,17H,3,9-10,13-14H2,1-2H3,(H,24,25)
InChIKeyIIKHJRKGFFFVKG-UHFFFAOYSA-N
XLogP3.36
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 87027506
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
4-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]benzamide;hydrochloride
CID 119284935
2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119184410
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid
CID 119179131
N-cyclopropyl-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-phenylbutanamide
CID 110024904
2-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]acetic acid
CID 60825521
N-benzyl-N-cyclopropyl-4-ethoxy-3-nitrobenzamide
CID 38270776
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680
N-cyclopropyl-2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 79272398

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid (CID 119180543) is 2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid is CCOc1cc(C(=O)N(Cc2ccccc2OC)C2CC2)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid?
The InChIKey is IIKHJRKGFFFVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-3-28-20-12-15(8-11-19(20)29-14-21(24)25)22(26)23(17-9-10-17)13-16-6-4-5-7-18(16)27-2/h4-8,11-12,17H,3,9-10,13-14H2,1-2H3,(H,24,25).
What are the key properties of 2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid?
2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid has a molecular weight of 399.44 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid is sourced from PubChem (CID 119180543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).