3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide

C17H22N2O — CID 107420310

IUPAC3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide
SMILESCC1CCCC1CNC(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C17H22N2O/c1-13-5-2-9-16(13)12-19-17(20)15-8-3-6-14(11-15)7-4-10-18/h3,6,8,11,13,16H,2,5,9-10,12,18H2,1H3,(H,19,20)
InChIKeyRZLAYYFHNDWNOT-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.16
Rot. Bonds3

About 3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide

3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide (PubChem CID 107420310) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide
PubChem CID107420310
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide
SMILESCC1CCCC1CNC(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C17H22N2O/c1-13-5-2-9-16(13)12-19-17(20)15-8-3-6-14(11-15)7-4-10-18/h3,6,8,11,13,16H,2,5,9-10,12,18H2,1H3,(H,19,20)
InChIKeyRZLAYYFHNDWNOT-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.16
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

5-(3-aminoprop-1-ynyl)-2-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420316
3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416397
3-(3-aminoprop-1-ynyl)-N-cyclopentylbenzamide
CID 60821489
3-(3-aminoprop-1-ynyl)-N-cyclopropylbenzamide
CID 60821167
3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide
CID 113485892
5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 107420278
3-(3-aminoprop-1-ynyl)-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 64915053
[3-(3-aminoprop-1-ynyl)phenyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968309
N-(4-amino-4-oxobutyl)-3-(3-aminoprop-1-ynyl)benzamide
CID 60865430
5-(3-aminoprop-1-ynyl)-4-methyl-N-[(2-methylcyclopentyl)methyl]thiophene-2-carboxamide
CID 107420312
3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 107524154
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide (CID 107420310) is 3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide is CC1CCCC1CNC(=O)c1cccc(C#CCN)c1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide?
The InChIKey is RZLAYYFHNDWNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-5-2-9-16(13)12-19-17(20)15-8-3-6-14(11-15)7-4-10-18/h3,6,8,11,13,16H,2,5,9-10,12,18H2,1H3,(H,19,20).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide?
3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide has a molecular weight of 270.38 g/mol, XLogP of 2.16, 3 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-[(2-methylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 107420310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).