[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone

C20H29NO4 — CID 42401886

IUPAC[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCO[C@H](CC3CCCCC3)C2)c1OC
InChIInChI=1S/C20H29NO4/c1-23-18-10-6-9-17(19(18)24-2)20(22)21-11-12-25-16(14-21)13-15-7-4-3-5-8-15/h6,9-10,15-16H,3-5,7-8,11-14H2,1-2H3/t16-/m1/s1
InChIKeyUBRCJPZDSPBPCE-MRXNPFEDSA-N
MW347.45 g/mol
LogP3.52
Rot. Bonds5

About [(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone

[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone (PubChem CID 42401886) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is [(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone
PubChem CID42401886
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC Name[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCO[C@H](CC3CCCCC3)C2)c1OC
InChIInChI=1S/C20H29NO4/c1-23-18-10-6-9-17(19(18)24-2)20(22)21-11-12-25-16(14-21)13-15-7-4-3-5-8-15/h6,9-10,15-16H,3-5,7-8,11-14H2,1-2H3/t16-/m1/s1
InChIKeyUBRCJPZDSPBPCE-MRXNPFEDSA-N
XLogP3.52
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylmethyl)morpholin-4-yl]-quinoxalin-5-ylmethanone
CID 45246737
[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 26396060
[3-(bromomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 80661384
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 120727463
[3-(chloromethyl)pyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 63396306
[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 81212035
N-[[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821251
[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42245309
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 95445095
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
CID 51079432

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone?
The IUPAC name of [(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone (CID 42401886) is [(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone.
What is the SMILES notation for [(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone?
The canonical SMILES for [(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone is COc1cccc(C(=O)N2CCO[C@H](CC3CCCCC3)C2)c1OC.
What is the InChIKey of [(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone?
The InChIKey is UBRCJPZDSPBPCE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29NO4/c1-23-18-10-6-9-17(19(18)24-2)20(22)21-11-12-25-16(14-21)13-15-7-4-3-5-8-15/h6,9-10,15-16H,3-5,7-8,11-14H2,1-2H3/t16-/m1/s1.
What are the key properties of [(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone?
[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone has a molecular weight of 347.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,3-dimethoxyphenyl)methanone is sourced from PubChem (CID 42401886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).