3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide

C15H18N2O2 — CID 82748470

IUPAC3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1cccc(C#CCN)c1)C1CCOC1
InChIInChI=1S/C15H18N2O2/c1-17(14-7-9-19-11-14)15(18)13-6-2-4-12(10-13)5-3-8-16/h2,4,6,10,14H,7-9,11,16H2,1H3
InChIKeyHOZDTSWHVDFMEC-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.86
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide

3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide (PubChem CID 82748470) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
PubChem CID82748470
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
SMILESCN(C(=O)c1cccc(C#CCN)c1)C1CCOC1
InChIInChI=1S/C15H18N2O2/c1-17(14-7-9-19-11-14)15(18)13-6-2-4-12(10-13)5-3-8-16/h2,4,6,10,14H,7-9,11,16H2,1H3
InChIKeyHOZDTSWHVDFMEC-UHFFFAOYSA-N
XLogP0.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-cyclohexyl-N-methylbenzamide
CID 60820921
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(oxan-4-yl)benzamide
CID 60815763
2-(3-aminoprop-1-ynyl)-N,5-dimethyl-N-(oxolan-3-yl)benzamide
CID 82748685
3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 60822484
3-(3-aminoprop-1-ynyl)-N,N-diethylbenzamide
CID 60821032
5-(3-hydroxyprop-1-ynyl)-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82749477
3-(3-aminoprop-1-ynyl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61438969
3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide
CID 62591913
2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 120691080
4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737848
3-chloro-4-(4-hydroxybut-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82729494
3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide
CID 61378884

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide (CID 82748470) is 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide is CN(C(=O)c1cccc(C#CCN)c1)C1CCOC1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide?
The InChIKey is HOZDTSWHVDFMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17(14-7-9-19-11-14)15(18)13-6-2-4-12(10-13)5-3-8-16/h2,4,6,10,14H,7-9,11,16H2,1H3.
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide?
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide has a molecular weight of 258.32 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 82748470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).