(1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H31NO5 — CID 42387528

IUPAC(1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OCCC(C)C)c(OC)c1
InChIInChI=1S/C27H31NO5/c1-6-12-28-24(18-8-10-21(22(15-18)31-5)32-13-11-16(2)3)23-25(29)19-14-17(4)7-9-20(19)33-26(23)27(28)30/h7-10,14-16,24H,6,11-13H2,1-5H3/t24-/m1/s1
InChIKeyQXYGZTUNXPZILA-XMMPIXPASA-N
MW449.55 g/mol
LogP5.49
Rot. Bonds8

About (1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 42387528) has the molecular formula C27H31NO5 and a molecular weight of 449.55 g/mol. Its IUPAC name is (1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID42387528
Molecular FormulaC27H31NO5
Molecular Weight449.55 g/mol
Exact Mass449.22
IUPAC Name(1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OCCC(C)C)c(OC)c1
InChIInChI=1S/C27H31NO5/c1-6-12-28-24(18-8-10-21(22(15-18)31-5)32-13-11-16(2)3)23-25(29)19-14-17(4)7-9-20(19)33-26(23)27(28)30/h7-10,14-16,24H,6,11-13H2,1-5H3/t24-/m1/s1
InChIKeyQXYGZTUNXPZILA-XMMPIXPASA-N
XLogP5.49
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-butoxy-3-methoxyphenyl)-2-(2-methoxyethyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706079
1-(4-butoxy-3-methoxyphenyl)-2-(3-methoxypropyl)-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706375
(1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-(pyridin-3-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40841951
1-(4-ethoxy-3-methoxyphenyl)-7-methyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820086
7-fluoro-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-[(4-methylphenyl)methyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18810323
(1R)-7-methyl-2-propyl-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42414931
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-5,7-dimethyl-2-pentyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18880814
7-bromo-2-[2-(diethylamino)ethyl]-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705387
1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-(3-morpholin-4-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705142
2-[2-(dimethylamino)ethyl]-7-fluoro-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4705768
2-benzyl-1-[3-ethoxy-4-(3-methylbutoxy)phenyl]-7-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18809926
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-(6-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4589577

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 42387528) is (1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OCCC(C)C)c(OC)c1.
What is the InChIKey of (1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QXYGZTUNXPZILA-XMMPIXPASA-N. The full InChI is InChI=1S/C27H31NO5/c1-6-12-28-24(18-8-10-21(22(15-18)31-5)32-13-11-16(2)3)23-25(29)19-14-17(4)7-9-20(19)33-26(23)27(28)30/h7-10,14-16,24H,6,11-13H2,1-5H3/t24-/m1/s1.
What are the key properties of (1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 449.55 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-7-methyl-2-propyl-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 42387528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).