2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone

C22H28N2O4 — CID 91827624

IUPAC2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2ccn(CC(=O)N3CCOCC3)c2)cc1OC1CCCC1
InChIInChI=1S/C22H28N2O4/c1-26-20-7-6-17(14-21(20)28-19-4-2-3-5-19)18-8-9-23(15-18)16-22(25)24-10-12-27-13-11-24/h6-9,14-15,19H,2-5,10-13,16H2,1H3
InChIKeyBMUHFZMZCKBGDR-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.34
Rot. Bonds6

About 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone

2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone (PubChem CID 91827624) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone
PubChem CID91827624
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2ccn(CC(=O)N3CCOCC3)c2)cc1OC1CCCC1
InChIInChI=1S/C22H28N2O4/c1-26-20-7-6-17(14-21(20)28-19-4-2-3-5-19)18-8-9-23(15-18)16-22(25)24-10-12-27-13-11-24/h6-9,14-15,19H,2-5,10-13,16H2,1H3
InChIKeyBMUHFZMZCKBGDR-UHFFFAOYSA-N
XLogP3.34
TPSA52.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone (CID 91827624) is 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone is COc1ccc(-c2ccn(CC(=O)N3CCOCC3)c2)cc1OC1CCCC1.
What is the InChIKey of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is BMUHFZMZCKBGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-26-20-7-6-17(14-21(20)28-19-4-2-3-5-19)18-8-9-23(15-18)16-22(25)24-10-12-27-13-11-24/h6-9,14-15,19H,2-5,10-13,16H2,1H3.
What are the key properties of 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone?
2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 384.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrol-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 91827624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).