2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide

C20H17NO3 — CID 42145626

IUPAC2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H17NO3/c22-18(16-12-14-6-4-5-9-17(14)24-19(16)23)21-13-20(10-11-20)15-7-2-1-3-8-15/h1-9,12H,10-11,13H2,(H,21,22)
InChIKeyFQVGDOLHWKUTJN-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.25
Rot. Bonds4

About 2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide

2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide (PubChem CID 42145626) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide
PubChem CID42145626
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H17NO3/c22-18(16-12-14-6-4-5-9-17(14)24-19(16)23)21-13-20(10-11-20)15-7-2-1-3-8-15/h1-9,12H,10-11,13H2,(H,21,22)
InChIKeyFQVGDOLHWKUTJN-UHFFFAOYSA-N
XLogP3.25
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)-2-oxochromene-3-carboxamide
CID 110473782
2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide
CID 91958035
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
2-oxo-N-[[(1R,5S)-1,3,3-trimethyl-5-[(2-oxochromene-3-carbonyl)amino]cyclohexyl]methyl]chromene-3-carboxamide
CID 25387928
2-oxochromene-3-carboxylic acid
CID 161011590
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
CID 56742375
2-oxo-N-pent-3-ynylchromene-3-carboxamide
CID 115977302
2-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-3-carboxamide
CID 24624978
2-oxo-N-(quinolin-2-ylmethyl)chromene-3-carboxamide
CID 110745561
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N',N'-dibenzyl-2-oxochromene-3-carbohydrazide
CID 9293863
2-hydroxy-4-methyl-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 32625534

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide (CID 42145626) is 2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide is O=C(NCC1(c2ccccc2)CC1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide?
The InChIKey is FQVGDOLHWKUTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-18(16-12-14-6-4-5-9-17(14)24-19(16)23)21-13-20(10-11-20)15-7-2-1-3-8-15/h1-9,12H,10-11,13H2,(H,21,22).
What are the key properties of 2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide?
2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(1-phenylcyclopropyl)methyl]chromene-3-carboxamide is sourced from PubChem (CID 42145626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).