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

C24H24ClNO4 — CID 23601780

IUPACN-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCCC1(C)CC(=O)c2c(ccc3oc(C(=O)NCCc4ccc(Cl)cc4)c(C)c23)O1
InChIInChI=1S/C24H24ClNO4/c1-4-24(3)13-17(27)21-19(30-24)10-9-18-20(21)14(2)22(29-18)23(28)26-12-11-15-5-7-16(25)8-6-15/h5-10H,4,11-13H2,1-3H3,(H,26,28)
InChIKeyDSBBTDBHCHAQGG-UHFFFAOYSA-N
MW425.91 g/mol
LogP5.50
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (PubChem CID 23601780) has the molecular formula C24H24ClNO4 and a molecular weight of 425.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
PubChem CID23601780
Molecular FormulaC24H24ClNO4
Molecular Weight425.91 g/mol
Exact Mass425.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCCC1(C)CC(=O)c2c(ccc3oc(C(=O)NCCc4ccc(Cl)cc4)c(C)c23)O1
InChIInChI=1S/C24H24ClNO4/c1-4-24(3)13-17(27)21-19(30-24)10-9-18-20(21)14(2)22(29-18)23(28)26-12-11-15-5-7-16(25)8-6-15/h5-10H,4,11-13H2,1-3H3,(H,26,28)
InChIKeyDSBBTDBHCHAQGG-UHFFFAOYSA-N
XLogP5.50
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.91
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide with MolForge

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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
(7S)-N-[2-(3,4-diethoxyphenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 92669229
1-methyl-N-[2-(4-methylphenyl)ethyl]-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511200
(7S)-N-benzyl-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 92669108
(7R)-7-ethyl-1,7-dimethyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 124771937
(7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-(thiophen-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
CID 92669143
(7R)-7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N-[[(2R)-oxolan-2-yl]methyl]-8H-furo[3,2-f]chromene-2-carboxamide
CID 92669134
(7S)-7-(4-chlorophenyl)-2-(4-ethylpiperazine-1-carbonyl)-1,7-dimethyl-8H-furo[3,2-f]chromen-9-one
CID 92669104
N-cyclopentyl-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886050
1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886081
(7R)-7-(4-chlorophenyl)-1,7-dimethyl-2-(morpholine-4-carbonyl)-8H-furo[3,2-f]chromen-9-one
CID 92669098
ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate
CID 6623148

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (CID 23601780) is N-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is CCC1(C)CC(=O)c2c(ccc3oc(C(=O)NCCc4ccc(Cl)cc4)c(C)c23)O1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The InChIKey is DSBBTDBHCHAQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO4/c1-4-24(3)13-17(27)21-19(30-24)10-9-18-20(21)14(2)22(29-18)23(28)26-12-11-15-5-7-16(25)8-6-15/h5-10H,4,11-13H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide has a molecular weight of 425.91 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-7-ethyl-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is sourced from PubChem (CID 23601780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).