N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide

C19H18N2O3 — CID 17469485

IUPACN-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C19H18N2O3/c1-21(2)14-9-7-13(8-10-14)12-20-19(23)18-11-16(22)15-5-3-4-6-17(15)24-18/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyPTIQVZBNSVBAMX-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.79
Rot. Bonds4

About N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide (PubChem CID 17469485) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
PubChem CID17469485
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C19H18N2O3/c1-21(2)14-9-7-13(8-10-14)12-20-19(23)18-11-16(22)15-5-3-4-6-17(15)24-18/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyPTIQVZBNSVBAMX-UHFFFAOYSA-N
XLogP2.79
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-oxochromene-2-carboxamide
CID 95167823
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide
CID 43601604
N-(4-hydroxypentyl)-4-oxochromene-2-carboxamide
CID 107300405
N-[2-(4-methoxyphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 11638378
N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide
CID 90499300
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
CID 32755354
4-oxo-N-[[2-(phenoxymethyl)phenyl]methyl]chromene-2-carboxamide
CID 17489399
N-benzyl-N-methyl-4-oxochromene-2-carboxamide
CID 4056065
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-oxochromene-2-carboxamide
CID 122295406

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide (CID 17469485) is N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide is CN(C)c1ccc(CNC(=O)c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide?
The InChIKey is PTIQVZBNSVBAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-21(2)14-9-7-13(8-10-14)12-20-19(23)18-11-16(22)15-5-3-4-6-17(15)24-18/h3-11H,12H2,1-2H3,(H,20,23).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 17469485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).