N-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide

C25H29NO5 — CID 8016596

IUPACN-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
SMILESCc1c(CC(=O)N(C)CCCc2ccco2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3
InChIInChI=1S/C25H29NO5/c1-16-19-13-17-9-10-25(2,3)31-21(17)15-22(19)30-24(28)20(16)14-23(27)26(4)11-5-7-18-8-6-12-29-18/h6,8,12-13,15H,5,7,9-11,14H2,1-4H3
InChIKeyHLEJFMLWPMXZTD-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.43
Rot. Bonds6

About N-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide

N-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide (PubChem CID 8016596) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
PubChem CID8016596
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC NameN-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
SMILESCc1c(CC(=O)N(C)CCCc2ccco2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3
InChIInChI=1S/C25H29NO5/c1-16-19-13-17-9-10-25(2,3)31-21(17)15-22(19)30-24(28)20(16)14-23(27)26(4)11-5-7-18-8-6-12-29-18/h6,8,12-13,15H,5,7,9-11,14H2,1-4H3
InChIKeyHLEJFMLWPMXZTD-UHFFFAOYSA-N
XLogP4.43
TPSA72.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
CID 73257002
N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
CID 4869209
N-(2-morpholin-4-ylethyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
CID 4869685
4-[[(2S)-2-phenyl-2-[[2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetyl]amino]acetyl]amino]butanoic acid
CID 40816680
1-(2,2-dimethyl-7-octyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-6-yl)propyl acetate
CID 134912097
5-hydroxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,14,20-heptaen-11-one
CID 5318636
2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 4914066
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]acetamide
CID 40816601
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide
CID 40816600
3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol
CID 91833366
ethyl 3-[furan-2-ylmethyl-[5-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)methyl]furan-2-carbonyl]amino]propanoate
CID 21046482

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide (CID 8016596) is N-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide is Cc1c(CC(=O)N(C)CCCc2ccco2)c(=O)oc2cc3c(cc12)CCC(C)(C)O3.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide?
The InChIKey is HLEJFMLWPMXZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5/c1-16-19-13-17-9-10-25(2,3)31-21(17)15-22(19)30-24(28)20(16)14-23(27)26(4)11-5-7-18-8-6-12-29-18/h6,8,12-13,15H,5,7,9-11,14H2,1-4H3.
What are the key properties of N-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide?
N-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide has a molecular weight of 423.51 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-N-methyl-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide is sourced from PubChem (CID 8016596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).