(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

C25H34N2O3 — CID 18150680

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NCC3(N4CCOCC4)CCCCC3)ccc2c1
InChIInChI=1S/C25H34N2O3/c1-19(20-6-7-22-17-23(29-2)9-8-21(22)16-20)24(28)26-18-25(10-4-3-5-11-25)27-12-14-30-15-13-27/h6-9,16-17,19H,3-5,10-15,18H2,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyXULKTZKMCYBRGE-IBGZPJMESA-N
MW410.56 g/mol
LogP4.10
Rot. Bonds6

About (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (PubChem CID 18150680) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
PubChem CID18150680
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NCC3(N4CCOCC4)CCCCC3)ccc2c1
InChIInChI=1S/C25H34N2O3/c1-19(20-6-7-22-17-23(29-2)9-8-21(22)16-20)24(28)26-18-25(10-4-3-5-11-25)27-12-14-30-15-13-27/h6-9,16-17,19H,3-5,10-15,18H2,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyXULKTZKMCYBRGE-IBGZPJMESA-N
XLogP4.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 95247391
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42943249
(2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 25495550
(2S)-2-(2-methoxyphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 34948785
2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 17014106
(E)-3-(3-methoxyphenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 30254917
6-methoxy-N-[(1-morpholin-4-ylcyclopentyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 119073274
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55941741
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]cyclopentane-1-carboxylic acid
CID 118779854
2-amino-3-methoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 120983514

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide (CID 18150680) is (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is COc1ccc2cc([C@H](C)C(=O)NCC3(N4CCOCC4)CCCCC3)ccc2c1.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
The InChIKey is XULKTZKMCYBRGE-IBGZPJMESA-N. The full InChI is InChI=1S/C25H34N2O3/c1-19(20-6-7-22-17-23(29-2)9-8-21(22)16-20)24(28)26-18-25(10-4-3-5-11-25)27-12-14-30-15-13-27/h6-9,16-17,19H,3-5,10-15,18H2,1-2H3,(H,26,28)/t19-/m0/s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide?
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide has a molecular weight of 410.56 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 18150680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).