2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid

C21H23NO6 — CID 119185306

IUPAC2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)Nc2ccc(OCC3CC3)cc2)ccc1OCC(=O)O
InChIInChI=1S/C21H23NO6/c1-2-26-19-11-15(5-10-18(19)28-13-20(23)24)21(25)22-16-6-8-17(9-7-16)27-12-14-3-4-14/h5-11,14H,2-4,12-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyRFWSDJOAAFNPEC-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.59
Rot. Bonds10

About 2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid

2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid (PubChem CID 119185306) has the molecular formula C21H23NO6 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
PubChem CID119185306
Molecular FormulaC21H23NO6
Molecular Weight385.42 g/mol
Exact Mass385.15
IUPAC Name2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)Nc2ccc(OCC3CC3)cc2)ccc1OCC(=O)O
InChIInChI=1S/C21H23NO6/c1-2-26-19-11-15(5-10-18(19)28-13-20(23)24)21(25)22-16-6-8-17(9-7-16)27-12-14-3-4-14/h5-11,14H,2-4,12-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyRFWSDJOAAFNPEC-UHFFFAOYSA-N
XLogP3.59
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
N-[4-(difluoromethoxy)phenyl]-3,4-diethoxybenzamide
CID 2467684
4-(cyclopropylmethoxy)-N-[4-[3-(dimethylamino)propoxy]phenyl]benzamide
CID 86898305
2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid
CID 119180523
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
2-[2-ethoxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamoyl]phenoxy]acetic acid
CID 119180338
2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid
CID 122135254
4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 119325256
4-(cyclohexylmethoxy)-3-methoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779558

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid (CID 119185306) is 2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid is CCOc1cc(C(=O)Nc2ccc(OCC3CC3)cc2)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid?
The InChIKey is RFWSDJOAAFNPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO6/c1-2-26-19-11-15(5-10-18(19)28-13-20(23)24)21(25)22-16-6-8-17(9-7-16)27-12-14-3-4-14/h5-11,14H,2-4,12-13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid?
2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid has a molecular weight of 385.42 g/mol, XLogP of 3.59, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(cyclopropylmethoxy)phenyl]carbamoyl]-2-ethoxyphenoxy]acetic acid is sourced from PubChem (CID 119185306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).