4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide

C16H20N2O3 — CID 83099089

IUPAC4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1cccc(C#CCCO)c1
InChIInChI=1S/C16H20N2O3/c17-16(20)15-12-21-9-7-18(15)11-14-6-3-5-13(10-14)4-1-2-8-19/h3,5-6,10,15,19H,2,7-9,11-12H2,(H2,17,20)
InChIKeyKXWOMKPLJXKKMQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.11
Rot. Bonds4

About 4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide

4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide (PubChem CID 83099089) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide
PubChem CID83099089
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1Cc1cccc(C#CCCO)c1
InChIInChI=1S/C16H20N2O3/c17-16(20)15-12-21-9-7-18(15)11-14-6-3-5-13(10-14)4-1-2-8-19/h3,5-6,10,15,19H,2,7-9,11-12H2,(H2,17,20)
InChIKeyKXWOMKPLJXKKMQ-UHFFFAOYSA-N
XLogP0.11
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholin-3-one
CID 79469513
4-[3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol
CID 81208031
4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide
CID 83095742
4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095376
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
4-[(2-chloro-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83092821
4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide
CID 83095375
4-[(2-cyanophenyl)methyl]morpholine-3-carboxamide
CID 83092917
4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83097683
4-[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]but-3-yn-1-ol
CID 62972396
4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83096073

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide (CID 83099089) is 4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide is NC(=O)C1COCCN1Cc1cccc(C#CCCO)c1.
What is the InChIKey of 4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is KXWOMKPLJXKKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c17-16(20)15-12-21-9-7-18(15)11-14-6-3-5-13(10-14)4-1-2-8-19/h3,5-6,10,15,19H,2,7-9,11-12H2,(H2,17,20).
What are the key properties of 4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide?
4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 83099089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).