4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide

C15H20N2O — CID 54922312

IUPAC4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C15H20N2O/c1-12(2)9-11-17-15(18)14-7-5-13(6-8-14)4-3-10-16/h5-8,12H,9-11,16H2,1-2H3,(H,17,18)
InChIKeyIYILXQZIMWPHDZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.77
Rot. Bonds4

About 4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide

4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide (PubChem CID 54922312) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide
PubChem CID54922312
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C15H20N2O/c1-12(2)9-11-17-15(18)14-7-5-13(6-8-14)4-3-10-16/h5-8,12H,9-11,16H2,1-2H3,(H,17,18)
InChIKeyIYILXQZIMWPHDZ-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminobutyl)-4-(3-aminoprop-1-ynyl)benzamide
CID 172548745
4-(3-aminoprop-1-ynyl)-N-(4,4,4-trifluorobutyl)benzamide
CID 115521811
4-(3-aminoprop-1-ynyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]benzamide
CID 62979614
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide
CID 60821559
4-(3-aminoprop-1-ynyl)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106279826
4-(3-aminoprop-1-ynyl)-N-(3-ethylpentan-3-yl)benzamide
CID 65043007
4-(3-aminoprop-1-ynyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106406896
4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996773
4-cyano-N-(5-methylhexyl)benzamide
CID 79003058
4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide
CID 62406547
4-(3-aminoprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 60821775

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide (CID 54922312) is 4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1ccc(C#CCN)cc1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide?
The InChIKey is IYILXQZIMWPHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(2)9-11-17-15(18)14-7-5-13(6-8-14)4-3-10-16/h5-8,12H,9-11,16H2,1-2H3,(H,17,18).
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide?
4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide has a molecular weight of 244.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 54922312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).