(2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one

C27H28N2O6 — CID 1296989

IUPAC(2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C27H28N2O6/c1-28(2)13-14-29-24(23(26(31)27(29)32)25(30)21-10-7-15-34-21)19-11-12-20(22(16-19)33-3)35-17-18-8-5-4-6-9-18/h4-12,15-16,24,31H,13-14,17H2,1-3H3/t24-/m1/s1
InChIKeyOBOPVZXXQMVGMX-XMMPIXPASA-N
MW476.53 g/mol
LogP4.01
Rot. Bonds10

About (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one

(2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one (PubChem CID 1296989) has the molecular formula C27H28N2O6 and a molecular weight of 476.53 g/mol. Its IUPAC name is (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one
PubChem CID1296989
Molecular FormulaC27H28N2O6
Molecular Weight476.53 g/mol
Exact Mass476.19
IUPAC Name(2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1
InChIInChI=1S/C27H28N2O6/c1-28(2)13-14-29-24(23(26(31)27(29)32)25(30)21-10-7-15-34-21)19-11-12-20(22(16-19)33-3)35-17-18-8-5-4-6-9-18/h4-12,15-16,24,31H,13-14,17H2,1-3H3/t24-/m1/s1
InChIKeyOBOPVZXXQMVGMX-XMMPIXPASA-N
XLogP4.01
TPSA92.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 1322015
2-(3,4-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 4244716
1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-propoxyphenyl)-2H-pyrrol-5-one
CID 3440067
1-[3-(dimethylamino)propyl]-2-(3-ethoxy-4-propoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 3394448
2-(3-ethoxy-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108615487
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 4866413
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-(2-hydroxyethyl)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
CID 40921277
1-[3-(dimethylamino)propyl]-2-(3-ethoxy-4-phenylmethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3427342
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 3154115
1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 3388746
4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one
CID 108703194
(2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-[4-[2-(2-methylphenoxy)ethoxy]phenyl]-2H-pyrrol-5-one
CID 28798032

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one (CID 1296989) is (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one is COc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1.
What is the InChIKey of (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is OBOPVZXXQMVGMX-XMMPIXPASA-N. The full InChI is InChI=1S/C27H28N2O6/c1-28(2)13-14-29-24(23(26(31)27(29)32)25(30)21-10-7-15-34-21)19-11-12-20(22(16-19)33-3)35-17-18-8-5-4-6-9-18/h4-12,15-16,24,31H,13-14,17H2,1-3H3/t24-/m1/s1.
What are the key properties of (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one?
(2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 476.53 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 1296989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).