N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide

C24H28N2O6 — CID 118727365

IUPACN-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide
SMILESCCN(CCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1OC
InChIInChI=1S/C24H28N2O6/c1-4-26(15-16-8-5-6-9-20(16)31-3)11-7-10-25-24(29)22-14-19(28)23-18(27)12-17(30-2)13-21(23)32-22/h5-6,8-9,12-14,27H,4,7,10-11,15H2,1-3H3,(H,25,29)
InChIKeyURFQTQWDKFSECR-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.16
Rot. Bonds10

About N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide

N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide (PubChem CID 118727365) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide
PubChem CID118727365
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC NameN-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide
SMILESCCN(CCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1OC
InChIInChI=1S/C24H28N2O6/c1-4-26(15-16-8-5-6-9-20(16)31-3)11-7-10-25-24(29)22-14-19(28)23-18(27)12-17(30-2)13-21(23)32-22/h5-6,8-9,12-14,27H,4,7,10-11,15H2,1-3H3,(H,25,29)
InChIKeyURFQTQWDKFSECR-UHFFFAOYSA-N
XLogP3.16
TPSA101.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide (CID 118727365) is N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide is CCN(CCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1OC.
What is the InChIKey of N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?
The InChIKey is URFQTQWDKFSECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-4-26(15-16-8-5-6-9-20(16)31-3)11-7-10-25-24(29)22-14-19(28)23-18(27)12-17(30-2)13-21(23)32-22/h5-6,8-9,12-14,27H,4,7,10-11,15H2,1-3H3,(H,25,29).
What are the key properties of N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?
N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 118727365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).