7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide

C18H28N2O4 — CID 49194606

IUPAC7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOCCN(C)CCCNC(=O)C1COc2cc(OC)ccc2C1
InChIInChI=1S/C18H28N2O4/c1-20(9-10-22-2)8-4-7-19-18(21)15-11-14-5-6-16(23-3)12-17(14)24-13-15/h5-6,12,15H,4,7-11,13H2,1-3H3,(H,19,21)
InChIKeyHRONRYJYQHZSQT-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.33
Rot. Bonds9

About 7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide

7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 49194606) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID49194606
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOCCN(C)CCCNC(=O)C1COc2cc(OC)ccc2C1
InChIInChI=1S/C18H28N2O4/c1-20(9-10-22-2)8-4-7-19-18(21)15-11-14-5-6-16(23-3)12-17(14)24-13-15/h5-6,12,15H,4,7-11,13H2,1-3H3,(H,19,21)
InChIKeyHRONRYJYQHZSQT-UHFFFAOYSA-N
XLogP1.33
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 49194606) is 7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide is COCCN(C)CCCNC(=O)C1COc2cc(OC)ccc2C1.
What is the InChIKey of 7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is HRONRYJYQHZSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-20(9-10-22-2)8-4-7-19-18(21)15-11-14-5-6-16(23-3)12-17(14)24-13-15/h5-6,12,15H,4,7-11,13H2,1-3H3,(H,19,21).
What are the key properties of 7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 49194606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).