4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide

C15H19N3O2 — CID 83095375

IUPAC4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide
SMILESNCC#Cc1ccccc1CN1CCOCC1C(N)=O
InChIInChI=1S/C15H19N3O2/c16-7-3-6-12-4-1-2-5-13(12)10-18-8-9-20-11-14(18)15(17)19/h1-2,4-5,14H,7-11,16H2,(H2,17,19)
InChIKeyPOZWFXSZXCXAFA-UHFFFAOYSA-N
MW273.34 g/mol
LogP-0.32
Rot. Bonds3

About 4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide

4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide (PubChem CID 83095375) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide
PubChem CID83095375
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide
SMILESNCC#Cc1ccccc1CN1CCOCC1C(N)=O
InChIInChI=1S/C15H19N3O2/c16-7-3-6-12-4-1-2-5-13(12)10-18-8-9-20-11-14(18)15(17)19/h1-2,4-5,14H,7-11,16H2,(H2,17,19)
InChIKeyPOZWFXSZXCXAFA-UHFFFAOYSA-N
XLogP-0.32
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 5-0.32
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-[(2-cyanophenyl)methyl]morpholine-3-carboxamide
CID 83092917
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83096073
5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 83095889
4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide
CID 83101795
4-[(5-amino-2-chlorophenyl)methyl]morpholine-3-carboxamide
CID 83102235
4-[(2-amino-5-nitrophenyl)methyl]morpholine-3-carboxamide
CID 83095659
4-[[2-(ethylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83095840
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
4-[[3-(4-hydroxybut-1-ynyl)phenyl]methyl]morpholine-3-carboxamide
CID 83099089
4-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]morpholine-3-carboxamide
CID 83095742
4-[[2-(propylamino)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 83095743

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide (CID 83095375) is 4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide is NCC#Cc1ccccc1CN1CCOCC1C(N)=O.
What is the InChIKey of 4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is POZWFXSZXCXAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-7-3-6-12-4-1-2-5-13(12)10-18-8-9-20-11-14(18)15(17)19/h1-2,4-5,14H,7-11,16H2,(H2,17,19).
What are the key properties of 4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide?
4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 83095375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).