N-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide

C27H34N2O6 — CID 118727377

IUPACN-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide
SMILESCCN(CCCCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1OC
InChIInChI=1S/C27H34N2O6/c1-4-29(18-19-11-7-8-12-23(19)34-3)14-10-6-5-9-13-28-27(32)25-17-22(31)26-21(30)15-20(33-2)16-24(26)35-25/h7-8,11-12,15-17,30H,4-6,9-10,13-14,18H2,1-3H3,(H,28,32)
InChIKeyRRIXRLDWKRILNJ-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.33
Rot. Bonds13

About N-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide

N-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide (PubChem CID 118727377) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide
PubChem CID118727377
Molecular FormulaC27H34N2O6
Molecular Weight482.58 g/mol
Exact Mass482.24
IUPAC NameN-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide
SMILESCCN(CCCCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1OC
InChIInChI=1S/C27H34N2O6/c1-4-29(18-19-11-7-8-12-23(19)34-3)14-10-6-5-9-13-28-27(32)25-17-22(31)26-21(30)15-20(33-2)16-24(26)35-25/h7-8,11-12,15-17,30H,4-6,9-10,13-14,18H2,1-3H3,(H,28,32)
InChIKeyRRIXRLDWKRILNJ-UHFFFAOYSA-N
XLogP4.33
TPSA101.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.33
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-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?
The IUPAC name of N-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide (CID 118727377) is N-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide is CCN(CCCCCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1OC.
What is the InChIKey of N-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?
The InChIKey is RRIXRLDWKRILNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-4-29(18-19-11-7-8-12-23(19)34-3)14-10-6-5-9-13-28-27(32)25-17-22(31)26-21(30)15-20(33-2)16-24(26)35-25/h7-8,11-12,15-17,30H,4-6,9-10,13-14,18H2,1-3H3,(H,28,32).
What are the key properties of N-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide?
N-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 4.33, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexyl]-5-hydroxy-7-methoxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 118727377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).