N-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide

C33H51N3O6 — CID 88529532

IUPACN-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1cc2c(CC(=O)NCCN3CCOCC3)cc(=O)oc2cc1O
InChIInChI=1S/C33H51N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-31(38)35-28-24-27-26(23-33(40)42-30(27)25-29(28)37)22-32(39)34-16-17-36-18-20-41-21-19-36/h23-25,37H,2-22H2,1H3,(H,34,39)(H,35,38)
InChIKeyOKBXQQMHPFOENY-UHFFFAOYSA-N
MW585.79 g/mol
LogP5.91
Rot. Bonds20

About N-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide

N-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide (PubChem CID 88529532) has the molecular formula C33H51N3O6 and a molecular weight of 585.79 g/mol. Its IUPAC name is N-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide.

Molecular Properties

Compound NameN-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide
PubChem CID88529532
Molecular FormulaC33H51N3O6
Molecular Weight585.79 g/mol
Exact Mass585.38
IUPAC NameN-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1cc2c(CC(=O)NCCN3CCOCC3)cc(=O)oc2cc1O
InChIInChI=1S/C33H51N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-31(38)35-28-24-27-26(23-33(40)42-30(27)25-29(28)37)22-32(39)34-16-17-36-18-20-41-21-19-36/h23-25,37H,2-22H2,1H3,(H,34,39)(H,35,38)
InChIKeyOKBXQQMHPFOENY-UHFFFAOYSA-N
XLogP5.91
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.79
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[7-hydroxy-4-[2-[2-[2-[2-(methylamino)ethylamino]ethylamino]ethylamino]-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide
CID 88929639
N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
CID 172692510
(Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide
CID 169211001
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4904447
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6228876
5-(dodecanoylamino)-N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751410
(2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 6723132
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4906700
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748

Frequently Asked Questions

What is the IUPAC name of N-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide?
The IUPAC name of N-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide (CID 88529532) is N-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide.
What is the SMILES notation for N-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide?
The canonical SMILES for N-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)Nc1cc2c(CC(=O)NCCN3CCOCC3)cc(=O)oc2cc1O.
What is the InChIKey of N-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide?
The InChIKey is OKBXQQMHPFOENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-31(38)35-28-24-27-26(23-33(40)42-30(27)25-29(28)37)22-32(39)34-16-17-36-18-20-41-21-19-36/h23-25,37H,2-22H2,1H3,(H,34,39)(H,35,38).
What are the key properties of N-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide?
N-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide has a molecular weight of 585.79 g/mol, XLogP of 5.91, 20 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-hydroxy-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxochromen-6-yl]hexadecanamide is sourced from PubChem (CID 88529532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).