2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide

C21H25N5O3 — CID 51336102

IUPAC2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cn2nnc3ccccc32)N2CCOCC2)cc1
InChIInChI=1S/C21H25N5O3/c1-28-17-8-6-16(7-9-17)20(25-10-12-29-13-11-25)14-22-21(27)15-26-19-5-3-2-4-18(19)23-24-26/h2-9,20H,10-15H2,1H3,(H,22,27)
InChIKeyHUTJUFXUSSEQQZ-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.63
Rot. Bonds7

About 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide

2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide (PubChem CID 51336102) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
PubChem CID51336102
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cn2nnc3ccccc32)N2CCOCC2)cc1
InChIInChI=1S/C21H25N5O3/c1-28-17-8-6-16(7-9-17)20(25-10-12-29-13-11-25)14-22-21(27)15-26-19-5-3-2-4-18(19)23-24-26/h2-9,20H,10-15H2,1H3,(H,22,27)
InChIKeyHUTJUFXUSSEQQZ-UHFFFAOYSA-N
XLogP1.63
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
2-benzhydryloxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55358314
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 31405313
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270
4-(benzimidazol-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31333795
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 9462812
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112793405
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 25495794

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide (CID 51336102) is 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide is COc1ccc(C(CNC(=O)Cn2nnc3ccccc32)N2CCOCC2)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
The InChIKey is HUTJUFXUSSEQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-28-17-8-6-16(7-9-17)20(25-10-12-29-13-11-25)14-22-21(27)15-26-19-5-3-2-4-18(19)23-24-26/h2-9,20H,10-15H2,1H3,(H,22,27).
What are the key properties of 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide?
2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide is sourced from PubChem (CID 51336102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).