3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide

C21H27N3O4 — CID 119830154

IUPAC3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(N)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C21H27N3O4/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/h3-7,12-13,18H,8-11,14,22H2,1-2H3,(H,23,25)
InChIKeyCVJIFYZNYFBNJU-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.09
Rot. Bonds7

About 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide

3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 119830154) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID119830154
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCOc1ccc(C(CNC(=O)c2cccc(N)c2)N2CCOCC2)cc1OC
InChIInChI=1S/C21H27N3O4/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/h3-7,12-13,18H,8-11,14,22H2,1-2H3,(H,23,25)
InChIKeyCVJIFYZNYFBNJU-UHFFFAOYSA-N
XLogP2.09
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
3-amino-N-(2-morpholin-4-yl-2-phenylethyl)benzamide;dihydrochloride
CID 119853244
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 39110513
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55388124
3-(cyclopropylcarbamoylamino)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 55883630
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 46525244
1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 24647042
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24647039
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethoxy-4-propoxybenzamide
CID 29359882
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 112505140
N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24646997
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24646979

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide (CID 119830154) is 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide 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]benzamide?
The InChIKey is CVJIFYZNYFBNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/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/h3-7,12-13,18H,8-11,14,22H2,1-2H3,(H,23,25).
What are the key properties of 3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide?
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 385.46 g/mol, XLogP of 2.09, 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]benzamide is sourced from PubChem (CID 119830154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).