N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide

C15H17NO4 — CID 22729212

IUPACN,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide
SMILESCN(C)C(=O)C1=Cc2cccc(OCC3CO3)c2OC1
InChIInChI=1S/C15H17NO4/c1-16(2)15(17)11-6-10-4-3-5-13(14(10)20-7-11)19-9-12-8-18-12/h3-6,12H,7-9H2,1-2H3
InChIKeyHDUQARQTECVIFK-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.33
Rot. Bonds4

About N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide

N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide (PubChem CID 22729212) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide
PubChem CID22729212
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide
SMILESCN(C)C(=O)C1=Cc2cccc(OCC3CO3)c2OC1
InChIInChI=1S/C15H17NO4/c1-16(2)15(17)11-6-10-4-3-5-13(14(10)20-7-11)19-9-12-8-18-12/h3-6,12H,7-9H2,1-2H3
InChIKeyHDUQARQTECVIFK-UHFFFAOYSA-N
XLogP1.33
TPSA51.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[(8-methoxy-2H-chromene-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119188807
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-ethoxy-N-methyl-2H-chromene-3-carboxamide
CID 55712756
8-methoxy-N-methyl-N-(2-pyridin-2-ylethyl)-2H-chromene-3-carboxamide
CID 60616153
8-ethoxy-N-[[(2R,3R)-3-hydroxy-2-methyloxolan-3-yl]methyl]-2H-chromene-3-carboxamide
CID 124843907
N-cyclopentyl-8-methoxy-2H-chromene-3-carboxamide
CID 22578405
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
CID 119500438
1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235627
3-[(8-methoxy-2H-chromene-3-carbonyl)-(oxan-4-yl)amino]propanoic acid
CID 126772864
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 86822503
benzyl 8-methoxy-2H-chromene-3-carboxylate
CID 1475910
N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 55878636

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide?
The IUPAC name of N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide (CID 22729212) is N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide?
The canonical SMILES for N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide is CN(C)C(=O)C1=Cc2cccc(OCC3CO3)c2OC1.
What is the InChIKey of N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide?
The InChIKey is HDUQARQTECVIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-16(2)15(17)11-6-10-4-3-5-13(14(10)20-7-11)19-9-12-8-18-12/h3-6,12H,7-9H2,1-2H3.
What are the key properties of N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide?
N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide has a molecular weight of 275.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(oxiran-2-ylmethoxy)-2H-chromene-3-carboxamide is sourced from PubChem (CID 22729212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).