N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide

C25H36N2O3 — CID 42943249

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCC(CC)C(CNC(=O)C(C)c1ccc2cc(OC)ccc2c1)N1CCOCC1
InChIInChI=1S/C25H36N2O3/c1-5-19(6-2)24(27-11-13-30-14-12-27)17-26-25(28)18(3)20-7-8-22-16-23(29-4)10-9-21(22)15-20/h7-10,15-16,18-19,24H,5-6,11-14,17H2,1-4H3,(H,26,28)
InChIKeyHYXNRDQKHDRTEB-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.21
Rot. Bonds9

About N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 42943249) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID42943249
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCC(CC)C(CNC(=O)C(C)c1ccc2cc(OC)ccc2c1)N1CCOCC1
InChIInChI=1S/C25H36N2O3/c1-5-19(6-2)24(27-11-13-30-14-12-27)17-26-25(28)18(3)20-7-8-22-16-23(29-4)10-9-21(22)15-20/h7-10,15-16,18-19,24H,5-6,11-14,17H2,1-4H3,(H,26,28)
InChIKeyHYXNRDQKHDRTEB-UHFFFAOYSA-N
XLogP4.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide (CID 42943249) is N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide is CCC(CC)C(CNC(=O)C(C)c1ccc2cc(OC)ccc2c1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is HYXNRDQKHDRTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-5-19(6-2)24(27-11-13-30-14-12-27)17-26-25(28)18(3)20-7-8-22-16-23(29-4)10-9-21(22)15-20/h7-10,15-16,18-19,24H,5-6,11-14,17H2,1-4H3,(H,26,28).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 412.57 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 42943249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).