N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide

C18H22N2O4 — CID 56717531

IUPACN-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESCCN1CCOC(CCNC(=O)c2cc3ccccc3oc2=O)C1
InChIInChI=1S/C18H22N2O4/c1-2-20-9-10-23-14(12-20)7-8-19-17(21)15-11-13-5-3-4-6-16(13)24-18(15)22/h3-6,11,14H,2,7-10,12H2,1H3,(H,19,21)
InChIKeySCSZUBHDVQFIDI-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.63
Rot. Bonds5

About N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide

N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 56717531) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide
PubChem CID56717531
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESCCN1CCOC(CCNC(=O)c2cc3ccccc3oc2=O)C1
InChIInChI=1S/C18H22N2O4/c1-2-20-9-10-23-14(12-20)7-8-19-17(21)15-11-13-5-3-4-6-16(13)24-18(15)22/h3-6,11,14H,2,7-10,12H2,1H3,(H,19,21)
InChIKeySCSZUBHDVQFIDI-UHFFFAOYSA-N
XLogP1.63
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-2-oxochromene-3-carboxamide
CID 49094694
2-oxo-N-[3-(2-phenylmorpholin-4-yl)propyl]chromene-3-carboxamide
CID 16892536
N-[2-(4-ethylmorpholin-2-yl)ethyl]-1H-indole-3-carboxamide
CID 56704628
2-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]chromene-3-carboxamide
CID 110741030
N-[2-(4-ethylmorpholin-2-yl)ethyl]-3-oxo-4H-quinoxaline-2-carboxamide
CID 56702354
N-[2-(1,1-dioxothian-4-yl)ethyl]-2-oxochromene-3-carboxamide
CID 171914896
2-oxo-N-pent-3-ynylchromene-3-carboxamide
CID 115977302
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
CID 56742375
N-[2-(1-methylpyrrol-3-yl)ethyl]-2-oxochromene-3-carboxamide
CID 110795663
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide
CID 9472621
2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide
CID 110742740

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide (CID 56717531) is N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide is CCN1CCOC(CCNC(=O)c2cc3ccccc3oc2=O)C1.
What is the InChIKey of N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is SCSZUBHDVQFIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-2-20-9-10-23-14(12-20)7-8-19-17(21)15-11-13-5-3-4-6-16(13)24-18(15)22/h3-6,11,14H,2,7-10,12H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide?
N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylmorpholin-2-yl)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 56717531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).