2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid

C20H27NO6 — CID 119215445

IUPAC2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid
SMILESCOc1cc(C(=O)NC2(CC(=O)O)CCOCC2)ccc1OC1CCCC1
InChIInChI=1S/C20H27NO6/c1-25-17-12-14(6-7-16(17)27-15-4-2-3-5-15)19(24)21-20(13-18(22)23)8-10-26-11-9-20/h6-7,12,15H,2-5,8-11,13H2,1H3,(H,21,24)(H,22,23)
InChIKeyQJYAZBDIFJSGLH-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.77
Rot. Bonds7

About 2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid

2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid (PubChem CID 119215445) has the molecular formula C20H27NO6 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid
PubChem CID119215445
Molecular FormulaC20H27NO6
Molecular Weight377.44 g/mol
Exact Mass377.18
IUPAC Name2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid
SMILESCOc1cc(C(=O)NC2(CC(=O)O)CCOCC2)ccc1OC1CCCC1
InChIInChI=1S/C20H27NO6/c1-25-17-12-14(6-7-16(17)27-15-4-2-3-5-15)19(24)21-20(13-18(22)23)8-10-26-11-9-20/h6-7,12,15H,2-5,8-11,13H2,1H3,(H,21,24)(H,22,23)
InChIKeyQJYAZBDIFJSGLH-UHFFFAOYSA-N
XLogP2.77
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,4-diethoxybenzoyl)amino]oxan-4-yl]acetic acid
CID 119214727
2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid
CID 126775681
3-methoxy-4-(oxan-4-yloxy)benzoic acid
CID 63935592
2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214844
2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672188
2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid
CID 117469213
2-[1-[(3-bromo-4-methoxybenzoyl)amino]cyclobutyl]acetic acid
CID 79848463
2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid
CID 119218458
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
CID 119223918
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 119211996

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid (CID 119215445) is 2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid is COc1cc(C(=O)NC2(CC(=O)O)CCOCC2)ccc1OC1CCCC1.
What is the InChIKey of 2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid?
The InChIKey is QJYAZBDIFJSGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO6/c1-25-17-12-14(6-7-16(17)27-15-4-2-3-5-15)19(24)21-20(13-18(22)23)8-10-26-11-9-20/h6-7,12,15H,2-5,8-11,13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid?
2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid has a molecular weight of 377.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 119215445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).