(1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H30N2O5 — CID 2010916

IUPAC(1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C30H30N2O5/c1-19-9-11-20(12-10-19)18-36-24-14-13-21(17-25(24)35-4)27-26-28(33)22-7-5-6-8-23(22)37-29(26)30(34)32(27)16-15-31(2)3/h5-14,17,27H,15-16,18H2,1-4H3/t27-/m0/s1
InChIKeyCLXPLGBTTGMABJ-MHZLTWQESA-N
MW498.58 g/mol
LogP4.80
Rot. Bonds8

About (1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2010916) has the molecular formula C30H30N2O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is (1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID2010916
Molecular FormulaC30H30N2O5
Molecular Weight498.58 g/mol
Exact Mass498.22
IUPAC Name(1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)ccc1OCc1ccc(C)cc1
InChIInChI=1S/C30H30N2O5/c1-19-9-11-20(12-10-19)18-36-24-14-13-21(17-25(24)35-4)27-26-28(33)22-7-5-6-8-23(22)37-29(26)30(34)32(27)16-15-31(2)3/h5-14,17,27H,15-16,18H2,1-4H3/t27-/m0/s1
InChIKeyCLXPLGBTTGMABJ-MHZLTWQESA-N
XLogP4.80
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(diethylamino)ethyl]-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702720
2-[3-(dimethylamino)propyl]-1-(3-methoxy-4-phenylmethoxyphenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705942
2-benzyl-1-(3-methoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809613
1-(4-butoxy-3-methoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4702864
1-(3,4-diethoxyphenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820026
(1S)-2-[3-(dimethylamino)propyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 39866307
7-fluoro-1-(3-methoxy-4-phenylmethoxyphenyl)-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810334
1-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-2-[2-(dimethylamino)ethyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4241417
7-chloro-2-[2-(dimethylamino)ethyl]-1-(3-ethoxy-4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2955646
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820012
13-(3,4-dimethoxyphenyl)-14-[2-(dimethylamino)ethyl]-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-11,15-dione
CID 19134092
(1S)-2-[2-(dimethylamino)ethyl]-1-(2-methoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2026985

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2010916) is (1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)ccc1OCc1ccc(C)cc1.
What is the InChIKey of (1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is CLXPLGBTTGMABJ-MHZLTWQESA-N. The full InChI is InChI=1S/C30H30N2O5/c1-19-9-11-20(12-10-19)18-36-24-14-13-21(17-25(24)35-4)27-26-28(33)22-7-5-6-8-23(22)37-29(26)30(34)32(27)16-15-31(2)3/h5-14,17,27H,15-16,18H2,1-4H3/t27-/m0/s1.
What are the key properties of (1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 498.58 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[2-(dimethylamino)ethyl]-1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2010916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).