(7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide

C28H33NO6 — CID 92669229

IUPAC(7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2oc3ccc4c(c3c2C)C(=O)C[C@](C)(CC)O4)cc1OCC
InChIInChI=1S/C28H33NO6/c1-6-28(5)16-19(30)25-22(35-28)12-11-21-24(25)17(4)26(34-21)27(31)29-14-13-18-9-10-20(32-7-2)23(15-18)33-8-3/h9-12,15H,6-8,13-14,16H2,1-5H3,(H,29,31)/t28-/m0/s1
InChIKeyMZLMVBIUAVDQAE-NDEPHWFRSA-N
MW479.57 g/mol
LogP5.65
Rot. Bonds9

About (7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide

(7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (PubChem CID 92669229) has the molecular formula C28H33NO6 and a molecular weight of 479.57 g/mol. Its IUPAC name is (7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.

Molecular Properties

Compound Name(7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
PubChem CID92669229
Molecular FormulaC28H33NO6
Molecular Weight479.57 g/mol
Exact Mass479.23
IUPAC Name(7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2oc3ccc4c(c3c2C)C(=O)C[C@](C)(CC)O4)cc1OCC
InChIInChI=1S/C28H33NO6/c1-6-28(5)16-19(30)25-22(35-28)12-11-21-24(25)17(4)26(34-21)27(31)29-14-13-18-9-10-20(32-7-2)23(15-18)33-8-3/h9-12,15H,6-8,13-14,16H2,1-5H3,(H,29,31)/t28-/m0/s1
InChIKeyMZLMVBIUAVDQAE-NDEPHWFRSA-N
XLogP5.65
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.57
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 23601783
N-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 23601780
1-methyl-N-[2-(4-methylphenyl)ethyl]-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511200
(7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 124771937
N-[(5-bromo-2-methoxyphenyl)methyl]-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886080
ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate
CID 6623148
N-[2-(3,4-diethoxyphenyl)ethyl]-1-oxo-4-phenylisochromene-3-carboxamide
CID 20854050
1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886081
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide
CID 22511366
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
N-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119677415

Frequently Asked Questions

What is the IUPAC name of (7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The IUPAC name of (7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (CID 92669229) is (7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.
What is the SMILES notation for (7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The canonical SMILES for (7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is CCOc1ccc(CCNC(=O)c2oc3ccc4c(c3c2C)C(=O)C[C@](C)(CC)O4)cc1OCC.
What is the InChIKey of (7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The InChIKey is MZLMVBIUAVDQAE-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H33NO6/c1-6-28(5)16-19(30)25-22(35-28)12-11-21-24(25)17(4)26(34-21)27(31)29-14-13-18-9-10-20(32-7-2)23(15-18)33-8-3/h9-12,15H,6-8,13-14,16H2,1-5H3,(H,29,31)/t28-/m0/s1.
What are the key properties of (7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
(7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide has a molecular weight of 479.57 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is sourced from PubChem (CID 92669229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).