(2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one

C30H37N3O3 — CID 59106720

IUPAC(2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one
SMILESCOc1ccc(CN2C[C@@H](C)O[C@@H](Cc3cn(-c4ccc(CC5CCCCC5)cc4)cn3)C2=O)cc1
InChIInChI=1S/C30H37N3O3/c1-22-18-32(19-25-10-14-28(35-2)15-11-25)30(34)29(36-22)17-26-20-33(21-31-26)27-12-8-24(9-13-27)16-23-6-4-3-5-7-23/h8-15,20-23,29H,3-7,16-19H2,1-2H3/t22-,29+/m1/s1
InChIKeyNVZNQRWRSQSMQF-MNNSJKJDSA-N
MW487.64 g/mol
LogP5.36
Rot. Bonds8

About (2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one

(2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one (PubChem CID 59106720) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is (2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one.

Molecular Properties

Compound Name(2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one
PubChem CID59106720
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC Name(2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one
SMILESCOc1ccc(CN2C[C@@H](C)O[C@@H](Cc3cn(-c4ccc(CC5CCCCC5)cc4)cn3)C2=O)cc1
InChIInChI=1S/C30H37N3O3/c1-22-18-32(19-25-10-14-28(35-2)15-11-25)30(34)29(36-22)17-26-20-33(21-31-26)27-12-8-24(9-13-27)16-23-6-4-3-5-7-23/h8-15,20-23,29H,3-7,16-19H2,1-2H3/t22-,29+/m1/s1
InChIKeyNVZNQRWRSQSMQF-MNNSJKJDSA-N
XLogP5.36
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one with MolForge

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Launch Full Analysis

Related Compounds

4-[(4-methoxyphenyl)methyl]-2-[[1-(3-phenoxyphenyl)imidazol-4-yl]methyl]morpholin-3-one
CID 22289870
(6R)-4-[(4-methoxyphenyl)methyl]-6-methyl-2-[1-(1-propylimidazol-4-yl)ethyl]morpholin-3-one
CID 142266231
(5R)-3-[[4-(cyclohexylmethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 68813968
tert-butyl (2R)-2-hydroxy-2-[(2R,6S)-4-[(4-methoxyphenyl)methyl]-6-methyl-3-oxomorpholin-2-yl]acetate
CID 118496322
(1S,2R,6R,7R,8R,11S)-4-[(4-methoxyphenyl)methyl]-12-oxa-4-azatetracyclo[5.4.1.02,6.08,11]dodecan-3-one
CID 102434288
3-[[4-(2-cyclohexylethoxy)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 25173287
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
3-[1-(4-methoxyphenyl)imidazol-4-yl]propanoic acid
CID 82479273
(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 42210577
4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45235933
3-[(4-cyclohexyloxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 25173617
1,3,5-tris[(4-methoxyphenyl)methyl]triazinane
CID 69010475

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one?
The IUPAC name of (2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one (CID 59106720) is (2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one.
What is the SMILES notation for (2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one?
The canonical SMILES for (2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one is COc1ccc(CN2C[C@@H](C)O[C@@H](Cc3cn(-c4ccc(CC5CCCCC5)cc4)cn3)C2=O)cc1.
What is the InChIKey of (2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one?
The InChIKey is NVZNQRWRSQSMQF-MNNSJKJDSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-22-18-32(19-25-10-14-28(35-2)15-11-25)30(34)29(36-22)17-26-20-33(21-31-26)27-12-8-24(9-13-27)16-23-6-4-3-5-7-23/h8-15,20-23,29H,3-7,16-19H2,1-2H3/t22-,29+/m1/s1.
What are the key properties of (2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one?
(2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one has a molecular weight of 487.64 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-[[1-[4-(cyclohexylmethyl)phenyl]imidazol-4-yl]methyl]-4-[(4-methoxyphenyl)methyl]-6-methylmorpholin-3-one is sourced from PubChem (CID 59106720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).