N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide

C15H19N3O2 — CID 79151985

IUPACN-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide
SMILESCc1ccc(C#CCN)cc1NC(=O)N1CCOCC1
InChIInChI=1S/C15H19N3O2/c1-12-4-5-13(3-2-6-16)11-14(12)17-15(19)18-7-9-20-10-8-18/h4-5,11H,6-10,16H2,1H3,(H,17,19)
InChIKeyXNOGTXRRTFKTDZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.17
Rot. Bonds1

About N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide

N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide (PubChem CID 79151985) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide
PubChem CID79151985
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide
SMILESCc1ccc(C#CCN)cc1NC(=O)N1CCOCC1
InChIInChI=1S/C15H19N3O2/c1-12-4-5-13(3-2-6-16)11-14(12)17-15(19)18-7-9-20-10-8-18/h4-5,11H,6-10,16H2,1H3,(H,17,19)
InChIKeyXNOGTXRRTFKTDZ-UHFFFAOYSA-N
XLogP1.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 79161151
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]morpholine-4-carboxamide
CID 102821736
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]oxane-3-carboxamide
CID 62760338
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]pyrrolidine-1-carboxamide
CID 79161052
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 79158740
N-(5-acetamido-2-methylphenyl)morpholine-4-carboxamide
CID 47041767
3-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-1,1-diethylurea
CID 79161390
3-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-1-ethyl-1-methylurea
CID 79162677
N-[2-hydroxy-5-(2-trimethylsilylethynyl)phenyl]morpholine-4-carboxamide
CID 170733961
N-(2,5-dimethylphenyl)-4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50748010
[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-morpholin-4-ylmethanone
CID 81476214

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide?
The IUPAC name of N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide (CID 79151985) is N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide is Cc1ccc(C#CCN)cc1NC(=O)N1CCOCC1.
What is the InChIKey of N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide?
The InChIKey is XNOGTXRRTFKTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12-4-5-13(3-2-6-16)11-14(12)17-15(19)18-7-9-20-10-8-18/h4-5,11H,6-10,16H2,1H3,(H,17,19).
What are the key properties of N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide?
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]morpholine-4-carboxamide is sourced from PubChem (CID 79151985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).