N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide

C14H15NO4 — CID 109388309

IUPACN-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide
SMILESCC(CO)N(C)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H15NO4/c1-9(8-16)15(2)13(17)11-7-10-5-3-4-6-12(10)19-14(11)18/h3-7,9,16H,8H2,1-2H3
InChIKeyFZZGOHVLFQLSHC-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.25
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide

N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide (PubChem CID 109388309) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide
PubChem CID109388309
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide
SMILESCC(CO)N(C)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C14H15NO4/c1-9(8-16)15(2)13(17)11-7-10-5-3-4-6-12(10)19-14(11)18/h3-7,9,16H,8H2,1-2H3
InChIKeyFZZGOHVLFQLSHC-UHFFFAOYSA-N
XLogP1.25
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide
CID 9475464
N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 18115026
N-(1-hydroxy-3-methylbutan-2-yl)-2-oxochromene-3-carboxamide
CID 79255030
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
3-[ethyl-(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 61008302
N-(1-hydroxybutan-2-yl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
CID 46994886
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 9482674
N-[(2R)-butan-2-yl]-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 6557653
N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 66185459
N-ethyl-N-(4-fluorophenyl)-2-oxochromene-3-carboxamide
CID 51198607
N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide
CID 66182545

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide (CID 109388309) is N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide is CC(CO)N(C)C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide?
The InChIKey is FZZGOHVLFQLSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9(8-16)15(2)13(17)11-7-10-5-3-4-6-12(10)19-14(11)18/h3-7,9,16H,8H2,1-2H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide?
N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 109388309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).