2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

C23H22N2O6 — CID 27308937

IUPAC2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
SMILESCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C23H22N2O6/c1-29-12-4-11-25-20(14-7-9-15(10-8-14)30-13-18(24)26)19-21(27)16-5-2-3-6-17(16)31-22(19)23(25)28/h2-3,5-10,20H,4,11-13H2,1H3,(H2,24,26)/t20-/m1/s1
InChIKeyDSNIQQJMTVODHX-HXUWFJFHSA-N
MW422.44 g/mol
LogP2.24
Rot. Bonds8

About 2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (PubChem CID 27308937) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
PubChem CID27308937
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
SMILESCOCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C23H22N2O6/c1-29-12-4-11-25-20(14-7-9-15(10-8-14)30-13-18(24)26)19-21(27)16-5-2-3-6-17(16)31-22(19)23(25)28/h2-3,5-10,20H,4,11-13H2,1H3,(H2,24,26)/t20-/m1/s1
InChIKeyDSNIQQJMTVODHX-HXUWFJFHSA-N
XLogP2.24
TPSA112.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(1R)-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 2004690
2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 39865672
2-[4-[7-fluoro-2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 2955020
1-(4-pentoxyphenyl)-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19113855
1-(3,4-dimethoxyphenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706307
2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 3730048
1-(4-ethoxyphenyl)-2-(2-hydroxyethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 5168164
1-(4-butoxyphenyl)-2-[3-(dibutylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702821
2-(3-ethoxypropyl)-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19114001
(1R)-2-(3-ethoxypropyl)-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40849886
2-[4-[2-(4-acetylphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 18852878
1-(3-chlorophenyl)-2-(3-methoxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706326

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (CID 27308937) is 2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
The InChIKey is DSNIQQJMTVODHX-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-29-12-4-11-25-20(14-7-9-15(10-8-14)30-13-18(24)26)19-21(27)16-5-2-3-6-17(16)31-22(19)23(25)28/h2-3,5-10,20H,4,11-13H2,1H3,(H2,24,26)/t20-/m1/s1.
What are the key properties of 2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide has a molecular weight of 422.44 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-2-(3-methoxypropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is sourced from PubChem (CID 27308937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).