N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide

C19H28N2O5 — CID 112503044

IUPACN-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide
SMILESCOc1ccc(C2(CNC(=O)N3CCOCC3)CCOCC2)cc1OC
InChIInChI=1S/C19H28N2O5/c1-23-16-4-3-15(13-17(16)24-2)19(5-9-25-10-6-19)14-20-18(22)21-7-11-26-12-8-21/h3-4,13H,5-12,14H2,1-2H3,(H,20,22)
InChIKeyHWLOYUUXIIOONK-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.79
Rot. Bonds5

About N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide

N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide (PubChem CID 112503044) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide
PubChem CID112503044
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC NameN-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide
SMILESCOc1ccc(C2(CNC(=O)N3CCOCC3)CCOCC2)cc1OC
InChIInChI=1S/C19H28N2O5/c1-23-16-4-3-15(13-17(16)24-2)19(5-9-25-10-6-19)14-20-18(22)21-7-11-26-12-8-21/h3-4,13H,5-12,14H2,1-2H3,(H,20,22)
InChIKeyHWLOYUUXIIOONK-UHFFFAOYSA-N
XLogP1.79
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]benzamide
CID 112503014
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]pentanamide
CID 112503009
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 112503037
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 112503024
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-phenylbutanamide
CID 110621403
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide
CID 113214436
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]azepane-1-carboxamide
CID 47873460
(3R)-N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
CID 30038082
4-(aminomethyl)-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120932991
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-4-methylpiperidine-1-carboxamide
CID 47873402
N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
CID 27262045

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide (CID 112503044) is N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide is COc1ccc(C2(CNC(=O)N3CCOCC3)CCOCC2)cc1OC.
What is the InChIKey of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide?
The InChIKey is HWLOYUUXIIOONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-23-16-4-3-15(13-17(16)24-2)19(5-9-25-10-6-19)14-20-18(22)21-7-11-26-12-8-21/h3-4,13H,5-12,14H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide?
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 112503044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).