3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide

C21H33N3O4 — CID 119830140

IUPAC3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCCC(N)C2)N2CCOCC2)cc1OC
InChIInChI=1S/C21H33N3O4/c1-26-19-7-6-15(13-20(19)27-2)18(24-8-10-28-11-9-24)14-23-21(25)16-4-3-5-17(22)12-16/h6-7,13,16-18H,3-5,8-12,14,22H2,1-2H3,(H,23,25)
InChIKeyGEVVFCHRQXXCGH-UHFFFAOYSA-N
MW391.51 g/mol
LogP1.71
Rot. Bonds7

About 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide

3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide (PubChem CID 119830140) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide
PubChem CID119830140
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Name3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCCC(N)C2)N2CCOCC2)cc1OC
InChIInChI=1S/C21H33N3O4/c1-26-19-7-6-15(13-20(19)27-2)18(24-8-10-28-11-9-24)14-23-21(25)16-4-3-5-17(22)12-16/h6-7,13,16-18H,3-5,8-12,14,22H2,1-2H3,(H,23,25)
InChIKeyGEVVFCHRQXXCGH-UHFFFAOYSA-N
XLogP1.71
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853222
3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119875146
4-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55646232
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]piperidine-2-carboxamide
CID 119830138
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 110933783
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55382996
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24647082
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 119830154

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide (CID 119830140) is 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide is COc1ccc(C(CNC(=O)C2CCCC(N)C2)N2CCOCC2)cc1OC.
What is the InChIKey of 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide?
The InChIKey is GEVVFCHRQXXCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-26-19-7-6-15(13-20(19)27-2)18(24-8-10-28-11-9-24)14-23-21(25)16-4-3-5-17(22)12-16/h6-7,13,16-18H,3-5,8-12,14,22H2,1-2H3,(H,23,25).
What are the key properties of 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119830140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).