2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

C26H29N3O5 — CID 4705360

IUPAC2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
SMILESCCN(CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2C1c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C26H29N3O5/c1-4-28(5-2)12-13-29-23(17-7-9-18(10-8-17)33-15-21(27)30)22-24(31)19-14-16(3)6-11-20(19)34-25(22)26(29)32/h6-11,14,23H,4-5,12-13,15H2,1-3H3,(H2,27,30)
InChIKeyVBRIOXIOISXLFE-UHFFFAOYSA-N
MW463.53 g/mol
LogP2.85
Rot. Bonds9

About 2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (PubChem CID 4705360) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
PubChem CID4705360
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
SMILESCCN(CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2C1c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C26H29N3O5/c1-4-28(5-2)12-13-29-23(17-7-9-18(10-8-17)33-15-21(27)30)22-24(31)19-14-16(3)6-11-20(19)34-25(22)26(29)32/h6-11,14,23H,4-5,12-13,15H2,1-3H3,(H2,27,30)
InChIKeyVBRIOXIOISXLFE-UHFFFAOYSA-N
XLogP2.85
TPSA106.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(diethylamino)ethyl]-7-methyl-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705311
2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 3730048
2-[4-(7-methyl-3,9-dioxo-2-pyrimidin-2-yl-1H-chromeno[2,3-c]pyrrol-1-yl)phenoxy]acetamide
CID 3283735
2-[4-[7-fluoro-2-(2-methoxyethyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 2955020
2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472848
(1R)-2-[2-(dimethylamino)ethyl]-1-(4-methoxyphenyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7196564
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[2-(diethylamino)ethyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705338
2-[2-(diethylamino)ethyl]-7-ethyl-1-(4-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472846
2-[4-[2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
CID 4707178
7-bromo-2-[2-(diethylamino)ethyl]-1-(4-hexoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705410
2-[2-(diethylamino)ethyl]-7-fluoro-1-(4-hexoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705518
7-bromo-1-(4-bromophenyl)-2-[2-(diethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705371

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (CID 4705360) is 2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is CCN(CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2C1c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
The InChIKey is VBRIOXIOISXLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-4-28(5-2)12-13-29-23(17-7-9-18(10-8-17)33-15-21(27)30)22-24(31)19-14-16(3)6-11-20(19)34-25(22)26(29)32/h6-11,14,23H,4-5,12-13,15H2,1-3H3,(H2,27,30).
What are the key properties of 2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?
2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide has a molecular weight of 463.53 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(diethylamino)ethyl]-7-methyl-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is sourced from PubChem (CID 4705360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).