2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide

C15H20N2O — CID 54922361

IUPAC2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1ccccc1C#CCN
InChIInChI=1S/C15H20N2O/c1-11(2)12(3)17-15(18)14-9-5-4-7-13(14)8-6-10-16/h4-5,7,9,11-12H,10,16H2,1-3H3,(H,17,18)
InChIKeySYFUTNYPSCSZGQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.77
Rot. Bonds3

About 2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide

2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide (PubChem CID 54922361) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
PubChem CID54922361
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1ccccc1C#CCN
InChIInChI=1S/C15H20N2O/c1-11(2)12(3)17-15(18)14-9-5-4-7-13(14)8-6-10-16/h4-5,7,9,11-12H,10,16H2,1-3H3,(H,17,18)
InChIKeySYFUTNYPSCSZGQ-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705
2-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996577
2-(3-aminoprop-1-ynyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103113288
1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
CID 786717
2-(3-aminoprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106049567
2-(3-aminoprop-1-ynyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62103795
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)-2-methylbenzamide
CID 106346976
2-(3-aminoprop-1-ynyl)benzoic acid
CID 67117343
2-(3-aminoprop-1-ynyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 60822506
2-(4-hydroxybut-1-ynyl)-N-(2-methylpentan-3-yl)benzamide
CID 61471494
3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 66483662
N-butan-2-yl-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922339

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide (CID 54922361) is 2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide is CC(C)C(C)NC(=O)c1ccccc1C#CCN.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is SYFUTNYPSCSZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)12(3)17-15(18)14-9-5-4-7-13(14)8-6-10-16/h4-5,7,9,11-12H,10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide?
2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 244.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 54922361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).