2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide

C21H28N2O5 — CID 4906700

IUPAC2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCN3CCOCC3)c12
InChIInChI=1S/C21H28N2O5/c1-3-4-16-13-20(25)28-18-12-15(2)11-17(21(16)18)27-14-19(24)22-5-6-23-7-9-26-10-8-23/h11-13H,3-10,14H2,1-2H3,(H,22,24)
InChIKeyLCLUJHDJZMRZFV-UHFFFAOYSA-N
MW388.46 g/mol
LogP1.88
Rot. Bonds8

About 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide

2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 4906700) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID4906700
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCN3CCOCC3)c12
InChIInChI=1S/C21H28N2O5/c1-3-4-16-13-20(25)28-18-12-15(2)11-17(21(16)18)27-14-19(24)22-5-6-23-7-9-26-10-8-23/h11-13H,3-10,14H2,1-2H3,(H,22,24)
InChIKeyLCLUJHDJZMRZFV-UHFFFAOYSA-N
XLogP1.88
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid
CID 3378282
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 4911782
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid
CID 662287
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4904447
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetamide
CID 99796950
2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]acetamide
CID 171914586
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
(2S)-2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 29034234
2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 5146954
2-[(8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(2-morpholin-4-ylethyl)acetamide
CID 4910162
7-methyl-5-(1,4-oxazepan-6-ylmethoxy)-4-propylchromen-2-one;hydrochloride
CID 172897075
2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 171916127

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide (CID 4906700) is 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide is CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCN3CCOCC3)c12.
What is the InChIKey of 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is LCLUJHDJZMRZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-3-4-16-13-20(25)28-18-12-15(2)11-17(21(16)18)27-14-19(24)22-5-6-23-7-9-26-10-8-23/h11-13H,3-10,14H2,1-2H3,(H,22,24).
What are the key properties of 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide?
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 388.46 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 4906700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).