N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide

C17H19NO4 — CID 110275082

IUPACN-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide
SMILESCc1ccc2c(CNC(=O)C3CCCO3)cc(=O)oc2c1C
InChIInChI=1S/C17H19NO4/c1-10-5-6-13-12(8-15(19)22-16(13)11(10)2)9-18-17(20)14-4-3-7-21-14/h5-6,8,14H,3-4,7,9H2,1-2H3,(H,18,20)
InChIKeyDZWKQBASLNNJOR-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.21
Rot. Bonds3

About N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide

N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide (PubChem CID 110275082) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide
PubChem CID110275082
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC NameN-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide
SMILESCc1ccc2c(CNC(=O)C3CCCO3)cc(=O)oc2c1C
InChIInChI=1S/C17H19NO4/c1-10-5-6-13-12(8-15(19)22-16(13)11(10)2)9-18-17(20)14-4-3-7-21-14/h5-6,8,14H,3-4,7,9H2,1-2H3,(H,18,20)
InChIKeyDZWKQBASLNNJOR-UHFFFAOYSA-N
XLogP2.21
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.21
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-[(5-chloro-2-methoxy-3-methylphenyl)methyl]oxolane-2-carboxamide
CID 110782930
N-[(3-amino-2-methylphenyl)methyl]oxolane-2-carboxamide
CID 103110226
4-[[cyclopentyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
CID 16576387
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]oxolane-2-carboxamide
CID 82121626
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]oxolane-2-carboxamide
CID 108541523
4-(bromomethyl)-7,8-dimethylchromen-2-one
CID 91484430
N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylphenyl]acetamide
CID 34068677
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 103849971
7,8-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one
CID 3924084
(7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302633
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[[4-(methylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 47160865

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide (CID 110275082) is N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide is Cc1ccc2c(CNC(=O)C3CCCO3)cc(=O)oc2c1C.
What is the InChIKey of N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide?
The InChIKey is DZWKQBASLNNJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-10-5-6-13-12(8-15(19)22-16(13)11(10)2)9-18-17(20)14-4-3-7-21-14/h5-6,8,14H,3-4,7,9H2,1-2H3,(H,18,20).
What are the key properties of N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide?
N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide has a molecular weight of 301.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 110275082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).