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

C25H36N2O3 — CID 25495550

IUPAC(2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCC(CC)[C@@H](CNC(=O)[C@@H](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)/t18-,24+/m0/s1
InChIKeyHYXNRDQKHDRTEB-MHECFPHRSA-N
MW412.57 g/mol
LogP4.21
Rot. Bonds9

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

(2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 25495550) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is (2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID25495550
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name(2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCC(CC)[C@@H](CNC(=O)[C@@H](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)/t18-,24+/m0/s1
InChIKeyHYXNRDQKHDRTEB-MHECFPHRSA-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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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42943249
(2S)-N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55939114
(2R)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 95247391
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-methoxyphenyl)propanamide
CID 75691751
3-(2,5-dimethoxyphenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
CID 46539482
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 18150680
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55941741
2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
CID 134053073
(2S)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 18161398
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 55548898

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide (CID 25495550) is (2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide is CCC(CC)[C@@H](CNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)N1CCOCC1.
What is the InChIKey of (2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is HYXNRDQKHDRTEB-MHECFPHRSA-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)/t18-,24+/m0/s1.
What are the key properties of (2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-[(2S)-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 (2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 25495550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).