N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide

C16H20N2O4 — CID 11854024

IUPACN-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NCCCN(C)C)cc(=O)c2c1
InChIInChI=1S/C16H20N2O4/c1-18(2)8-4-7-17-16(20)15-10-13(19)12-9-11(21-3)5-6-14(12)22-15/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,20)
InChIKeyGDOPWMKSJWWPKB-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.48
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide

N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide (PubChem CID 11854024) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide
PubChem CID11854024
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NCCCN(C)C)cc(=O)c2c1
InChIInChI=1S/C16H20N2O4/c1-18(2)8-4-7-17-16(20)15-10-13(19)12-9-11(21-3)5-6-14(12)22-15/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,20)
InChIKeyGDOPWMKSJWWPKB-UHFFFAOYSA-N
XLogP1.48
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.48
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

N-[3-(dimethylamino)propyl]-7-hydroxy-4-oxochromene-2-carboxamide
CID 11853766
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
N-[3-(dimethylamino)propyl]-5,7-dihydroxy-4-oxochromene-2-carboxamide
CID 11854018
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
N-[10-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]decyl]-6-methoxy-4-oxochromene-2-carboxamide
CID 56954891
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
N-[3-(2-fluorophenoxy)propyl]-6-methyl-4-oxochromene-2-carboxamide
CID 17487106
7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
CID 51998193
N-[3-(dimethylamino)propyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 4965116
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide
CID 43601604
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide (CID 11854024) is N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide is COc1ccc2oc(C(=O)NCCCN(C)C)cc(=O)c2c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide?
The InChIKey is GDOPWMKSJWWPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-18(2)8-4-7-17-16(20)15-10-13(19)12-9-11(21-3)5-6-14(12)22-15/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,20).
What are the key properties of N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide?
N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-6-methoxy-4-oxochromene-2-carboxamide is sourced from PubChem (CID 11854024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).