N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide

C24H23NO5 — CID 4967700

IUPACN-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
SMILESCOCCCNC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O
InChIInChI=1S/C24H23NO5/c1-15-17-11-19-20(16-7-4-3-5-8-16)14-29-21(19)13-22(17)30-24(27)18(15)12-23(26)25-9-6-10-28-2/h3-5,7-8,11,13-14H,6,9-10,12H2,1-2H3,(H,25,26)
InChIKeySVQYDDPWPIIJED-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.21
Rot. Bonds7

About N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide

N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide (PubChem CID 4967700) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
PubChem CID4967700
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC NameN-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
SMILESCOCCCNC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O
InChIInChI=1S/C24H23NO5/c1-15-17-11-19-20(16-7-4-3-5-8-16)14-29-21(19)13-22(17)30-24(27)18(15)12-23(26)25-9-6-10-28-2/h3-5,7-8,11,13-14H,6,9-10,12H2,1-2H3,(H,25,26)
InChIKeySVQYDDPWPIIJED-UHFFFAOYSA-N
XLogP4.21
TPSA81.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
CID 4869285
2-[3-(4-chlorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-(2-methoxyethyl)acetamide
CID 4974497
2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]-N-(3-hydroxypropyl)acetamide
CID 4973000
2-[6-[[2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]hexanoylamino]-3-phenylpropanoic acid
CID 73256145
4-methyl-2-[[2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]pentanoic acid
CID 3362840
2-[3-(4-fluorophenyl)-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl]-N-(3-methoxypropyl)acetamide
CID 4893210
methyl 5-methyl-7-oxo-3-phenylfuro[3,2-g]chromene-6-carboxylate
CID 122573425
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide
CID 40961301
(2R)-2-[[2-[3-(4-fluorophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]-2-phenylacetic acid
CID 6352026
2-[[3-benzylsulfanyl-2-[[2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetyl]amino]propanoyl]amino]acetic acid
CID 73400133
6-[[3-methyl-2-[3-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]butanoyl]amino]hexanoic acid
CID 73255936
3-methyl-2-[3-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)propanoylamino]pentanoic acid
CID 3828683

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide (CID 4967700) is N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide is COCCCNC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3cc2oc1=O.
What is the InChIKey of N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide?
The InChIKey is SVQYDDPWPIIJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-15-17-11-19-20(16-7-4-3-5-8-16)14-29-21(19)13-22(17)30-24(27)18(15)12-23(26)25-9-6-10-28-2/h3-5,7-8,11,13-14H,6,9-10,12H2,1-2H3,(H,25,26).
What are the key properties of N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide?
N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide has a molecular weight of 405.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl)acetamide is sourced from PubChem (CID 4967700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).