2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H30N2O5 — CID 23472450

IUPAC2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)C3c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C30H30N2O5/c1-4-35-23-13-14-24-25(18-23)37-29-26(28(24)33)27(32(30(29)34)16-15-31(2)3)21-11-8-12-22(17-21)36-19-20-9-6-5-7-10-20/h5-14,17-18,27H,4,15-16,19H2,1-3H3
InChIKeyMABXBGFYYOREKU-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.88
Rot. Bonds9

About 2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 23472450) has the molecular formula C30H30N2O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID23472450
Molecular FormulaC30H30N2O5
Molecular Weight498.58 g/mol
Exact Mass498.22
IUPAC Name2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)C3c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C30H30N2O5/c1-4-35-23-13-14-24-25(18-23)37-29-26(28(24)33)27(32(30(29)34)16-15-31(2)3)21-11-8-12-22(17-21)36-19-20-9-6-5-7-10-20/h5-14,17-18,27H,4,15-16,19H2,1-3H3
InChIKeyMABXBGFYYOREKU-UHFFFAOYSA-N
XLogP4.88
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(dimethylamino)propyl]-6-ethoxy-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472568
2-[2-(dimethylamino)ethyl]-6,7-dimethyl-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705727
(1S)-2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7644411
1-(3-butoxyphenyl)-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702755
1-(4-tert-butylphenyl)-2-[2-(dimethylamino)ethyl]-6-ethoxy-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472429
(1R)-2-[2-(dimethylamino)ethyl]-6-methoxy-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7645644
2-[3-(dibutylamino)propyl]-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702842
2-[2-(diethylamino)ethyl]-6-ethoxy-1-(3-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472474
2-[2-(dimethylamino)ethyl]-6-methoxy-1-(3-propan-2-yloxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4912723
1-(3-ethoxyphenyl)-6,7-dimethyl-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2954335
7-chloro-2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2955646
1-(3-ethoxyphenyl)-6-methoxy-2-(2-morpholin-4-ylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 23472278

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 23472450) is 2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN(C)C)C3c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is MABXBGFYYOREKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O5/c1-4-35-23-13-14-24-25(18-23)37-29-26(28(24)33)27(32(30(29)34)16-15-31(2)3)21-11-8-12-22(17-21)36-19-20-9-6-5-7-10-20/h5-14,17-18,27H,4,15-16,19H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 498.58 g/mol, XLogP of 4.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-6-ethoxy-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 23472450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).