2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide

C19H30N2O3 — CID 111540025

IUPAC2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
SMILESCC(O)CC(C)CNC(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H30N2O3/c1-15(10-16(2)22)12-20-19(23)11-18-14-21(8-9-24-18)13-17-6-4-3-5-7-17/h3-7,15-16,18,22H,8-14H2,1-2H3,(H,20,23)
InChIKeyGBQWYLDNGBHQAB-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.80
Rot. Bonds8

About 2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide

2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide (PubChem CID 111540025) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
PubChem CID111540025
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
SMILESCC(O)CC(C)CNC(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H30N2O3/c1-15(10-16(2)22)12-20-19(23)11-18-14-21(8-9-24-18)13-17-6-4-3-5-7-17/h3-7,15-16,18,22H,8-14H2,1-2H3,(H,20,23)
InChIKeyGBQWYLDNGBHQAB-UHFFFAOYSA-N
XLogP1.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119995447
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052
N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid
CID 124681649
4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid
CID 124703826
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119620021
2-[(2R)-4-benzylmorpholin-2-yl]-N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]acetamide
CID 96542097
2-(4-benzylmorpholin-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 71991420
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide?
The IUPAC name of 2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide (CID 111540025) is 2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide.
What is the SMILES notation for 2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide?
The canonical SMILES for 2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide is CC(O)CC(C)CNC(=O)CC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide?
The InChIKey is GBQWYLDNGBHQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-15(10-16(2)22)12-20-19(23)11-18-14-21(8-9-24-18)13-17-6-4-3-5-7-17/h3-7,15-16,18,22H,8-14H2,1-2H3,(H,20,23).
What are the key properties of 2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide?
2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide has a molecular weight of 334.46 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide is sourced from PubChem (CID 111540025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).