3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide

C15H19N3O2 — CID 83023741

IUPAC3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide
SMILESCc1ccc(C(=O)NN2CCOCC2)cc1C#CCN
InChIInChI=1S/C15H19N3O2/c1-12-4-5-14(11-13(12)3-2-6-16)15(19)17-18-7-9-20-10-8-18/h4-5,11H,6-10,16H2,1H3,(H,17,19)
InChIKeyRLYWKRWLJZNAQV-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.28
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide

3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide (PubChem CID 83023741) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide
PubChem CID83023741
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide
SMILESCc1ccc(C(=O)NN2CCOCC2)cc1C#CCN
InChIInChI=1S/C15H19N3O2/c1-12-4-5-14(11-13(12)3-2-6-16)15(19)17-18-7-9-20-10-8-18/h4-5,11H,6-10,16H2,1H3,(H,17,19)
InChIKeyRLYWKRWLJZNAQV-UHFFFAOYSA-N
XLogP0.28
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.28
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

[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-morpholin-4-ylmethanone
CID 81476214
4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzamide
CID 83022705
3-(3-aminoprop-1-ynyl)-4-methoxy-N-piperidin-1-ylbenzamide
CID 83015977
3-(3-aminoprop-1-ynyl)-N-(2-cyclopropylethyl)-4-methylbenzamide
CID 81475974
3-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylbutan-2-yl)benzamide
CID 81476045
3-(3-aminoprop-1-ynyl)-4-methyl-N-pentylbenzamide
CID 81475687
3-(3-aminoprop-1-ynyl)-4-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106406870
3-(3-aminoprop-1-ynyl)-N-benzyl-4-methylbenzamide
CID 81458811
ethyl 2-[[3-(3-aminoprop-1-ynyl)-4-methylbenzoyl]amino]acetate
CID 81475690
3-(3-aminoprop-1-ynyl)-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide
CID 104829639
3-(3-aminoprop-1-ynyl)-N-(2,3-dimethylbutyl)-4-methylbenzamide
CID 81475696
3-(3-aminoprop-1-ynyl)-4-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 81459933

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide (CID 83023741) is 3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide is Cc1ccc(C(=O)NN2CCOCC2)cc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide?
The InChIKey is RLYWKRWLJZNAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12-4-5-14(11-13(12)3-2-6-16)15(19)17-18-7-9-20-10-8-18/h4-5,11H,6-10,16H2,1H3,(H,17,19).
What are the key properties of 3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide?
3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide has a molecular weight of 273.34 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-4-methyl-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 83023741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).