N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide

C22H30N2O5 — CID 55550585

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCCC(CC)C(CNC(=O)COc1ccc2ccc(=O)oc2c1)N1CCOCC1
InChIInChI=1S/C22H30N2O5/c1-3-16(4-2)19(24-9-11-27-12-10-24)14-23-21(25)15-28-18-7-5-17-6-8-22(26)29-20(17)13-18/h5-8,13,16,19H,3-4,9-12,14-15H2,1-2H3,(H,23,25)
InChIKeyJDSYFOCXPJNVFA-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.42
Rot. Bonds9

About N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 55550585) has the molecular formula C22H30N2O5 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID55550585
Molecular FormulaC22H30N2O5
Molecular Weight402.49 g/mol
Exact Mass402.22
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCCC(CC)C(CNC(=O)COc1ccc2ccc(=O)oc2c1)N1CCOCC1
InChIInChI=1S/C22H30N2O5/c1-3-16(4-2)19(24-9-11-27-12-10-24)14-23-21(25)15-28-18-7-5-17-6-8-22(26)29-20(17)13-18/h5-8,13,16,19H,3-4,9-12,14-15H2,1-2H3,(H,23,25)
InChIKeyJDSYFOCXPJNVFA-UHFFFAOYSA-N
XLogP2.42
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.42
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

N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882786
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-methoxyphenyl)propanamide
CID 75691751
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 119526601
3-(2,5-dimethoxyphenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
CID 46539482
2-(4-bromophenoxy)-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
CID 18153802
N-(6-morpholin-4-yl-3-pyridinyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 34442404
N-(3-methyl-2-morpholin-4-ylbutyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 55520450
2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119447724
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 55548898
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42943249

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide (CID 55550585) is N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide is CCC(CC)C(CNC(=O)COc1ccc2ccc(=O)oc2c1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is JDSYFOCXPJNVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5/c1-3-16(4-2)19(24-9-11-27-12-10-24)14-23-21(25)15-28-18-7-5-17-6-8-22(26)29-20(17)13-18/h5-8,13,16,19H,3-4,9-12,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 402.49 g/mol, XLogP of 2.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 55550585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).