N-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

C21H21NO4 — CID 108733844

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NC3CCOc4ccccc43)ccc2O1
InChIInChI=1S/C21H21NO4/c1-21(2)12-17(23)15-11-13(7-8-19(15)26-21)20(24)22-16-9-10-25-18-6-4-3-5-14(16)18/h3-8,11,16H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyNIELMOVIXACKAA-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.68
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (PubChem CID 108733844) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
PubChem CID108733844
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)NC3CCOc4ccccc43)ccc2O1
InChIInChI=1S/C21H21NO4/c1-21(2)12-17(23)15-11-13(7-8-19(15)26-21)20(24)22-16-9-10-25-18-6-4-3-5-14(16)18/h3-8,11,16H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyNIELMOVIXACKAA-UHFFFAOYSA-N
XLogP3.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793143
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
4-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzamide
CID 115769510
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-4-methylbenzamide
CID 43709554
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-4-methylbenzamide
CID 18115323
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 94016891
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805235
3-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methoxybenzamide
CID 8819799

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (CID 108733844) is N-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is CC1(C)CC(=O)c2cc(C(=O)NC3CCOc4ccccc43)ccc2O1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The InChIKey is NIELMOVIXACKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-21(2)12-17(23)15-11-13(7-8-19(15)26-21)20(24)22-16-9-10-25-18-6-4-3-5-14(16)18/h3-8,11,16H,9-10,12H2,1-2H3,(H,22,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is sourced from PubChem (CID 108733844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).