3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide

C15H18N2O — CID 113485892

IUPAC3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide
SMILESCC1(NC(=O)c2cccc(C#CCN)c2)CCC1
InChIInChI=1S/C15H18N2O/c1-15(8-4-9-15)17-14(18)13-7-2-5-12(11-13)6-3-10-16/h2,5,7,11H,4,8-10,16H2,1H3,(H,17,18)
InChIKeyBCCMQTHDRZNCQX-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.67
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide

3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide (PubChem CID 113485892) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide
PubChem CID113485892
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide
SMILESCC1(NC(=O)c2cccc(C#CCN)c2)CCC1
InChIInChI=1S/C15H18N2O/c1-15(8-4-9-15)17-14(18)13-7-2-5-12(11-13)6-3-10-16/h2,5,7,11H,4,8-10,16H2,1H3,(H,17,18)
InChIKeyBCCMQTHDRZNCQX-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.67
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

3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64687881
5-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)pyridine-3-carboxamide
CID 113485891
3-cyano-N-(1-methylcyclobutyl)benzamide
CID 115766115
5-(3-aminoprop-1-ynyl)-2-methyl-N-(1-methylcyclopentyl)benzamide
CID 65310344
3-(3-aminoprop-1-ynyl)-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102907703
3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide
CID 60821489
3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
CID 60821167
3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420310
3-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzamide
CID 64603488
3-(3-aminoprop-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62640695
3-(3-aminoprop-1-ynyl)-N-(3-methylpentan-3-yl)benzamide
CID 106331050
N-(4-amino-4-oxobutyl)-3-(3-aminoprop-1-ynyl)benzamide
CID 60865430

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide (CID 113485892) is 3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide is CC1(NC(=O)c2cccc(C#CCN)c2)CCC1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide?
The InChIKey is BCCMQTHDRZNCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-15(8-4-9-15)17-14(18)13-7-2-5-12(11-13)6-3-10-16/h2,5,7,11H,4,8-10,16H2,1H3,(H,17,18).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide?
3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide has a molecular weight of 242.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide is sourced from PubChem (CID 113485892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).