2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide

C17H26N2O3 — CID 111539052

IUPAC2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
SMILESCC(O)CCNC(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H26N2O3/c1-14(20)7-8-18-17(21)11-16-13-19(9-10-22-16)12-15-5-3-2-4-6-15/h2-6,14,16,20H,7-13H2,1H3,(H,18,21)
InChIKeyKJIGWPYHCMATKI-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.16
Rot. Bonds7

About 2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide

2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide (PubChem CID 111539052) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
PubChem CID111539052
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
SMILESCC(O)CCNC(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H26N2O3/c1-14(20)7-8-18-17(21)11-16-13-19(9-10-22-16)12-15-5-3-2-4-6-15/h2-6,14,16,20H,7-13H2,1H3,(H,18,21)
InChIKeyKJIGWPYHCMATKI-UHFFFAOYSA-N
XLogP1.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111540025
N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119995447
2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119620021
(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-[(2S)-4-benzylmorpholin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 124588180
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide?
The IUPAC name of 2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide (CID 111539052) is 2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide.
What is the SMILES notation for 2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide?
The canonical SMILES for 2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide is CC(O)CCNC(=O)CC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide?
The InChIKey is KJIGWPYHCMATKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-14(20)7-8-18-17(21)11-16-13-19(9-10-22-16)12-15-5-3-2-4-6-15/h2-6,14,16,20H,7-13H2,1H3,(H,18,21).
What are the key properties of 2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide?
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.16, 7 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-(3-hydroxybutyl)acetamide is sourced from PubChem (CID 111539052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).