N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide

C18H28N2O4 — CID 86979197

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)N2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C18H28N2O4/c1-5-8-23-16-7-6-15(9-17(16)22-4)10-19-18(21)20-11-13(2)24-14(3)12-20/h6-7,9,13-14H,5,8,10-12H2,1-4H3,(H,19,21)
InChIKeyFTTZIGYFFRVHKL-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.80
Rot. Bonds6

About N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide

N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide (PubChem CID 86979197) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
PubChem CID86979197
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)N2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C18H28N2O4/c1-5-8-23-16-7-6-15(9-17(16)22-4)10-19-18(21)20-11-13(2)24-14(3)12-20/h6-7,9,13-14H,5,8,10-12H2,1-4H3,(H,19,21)
InChIKeyFTTZIGYFFRVHKL-UHFFFAOYSA-N
XLogP2.80
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,6S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95086958
N-[3-(3,4-dimethoxyphenyl)propyl]-2,6-dimethylmorpholine-4-carboxamide
CID 48568258
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17407308
2-(3,4-dimethoxyphenyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3373584
N-[(3-methoxy-4-propoxyphenyl)methyl]phenothiazine-10-carboxamide
CID 54776641
N-[(4-chlorophenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 108899201
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide
CID 82364748
2,6-dimethyl-N-[(3-methylphenyl)methyl]morpholine-4-carboxamide
CID 108898086
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide (CID 86979197) is N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide is CCCOc1ccc(CNC(=O)N2CC(C)OC(C)C2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide?
The InChIKey is FTTZIGYFFRVHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-5-8-23-16-7-6-15(9-17(16)22-4)10-19-18(21)20-11-13(2)24-14(3)12-20/h6-7,9,13-14H,5,8,10-12H2,1-4H3,(H,19,21).
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-2,6-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 86979197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).