3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide

C16H24N2O — CID 107416397

IUPAC3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide
SMILESCC1CCCC1CNC(=O)c1cccc(CCN)c1
InChIInChI=1S/C16H24N2O/c1-12-4-2-7-15(12)11-18-16(19)14-6-3-5-13(10-14)8-9-17/h3,5-6,10,12,15H,2,4,7-9,11,17H2,1H3,(H,18,19)
InChIKeyANXNUPSJHNPDAO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.35
Rot. Bonds5

About 3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide

3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide (PubChem CID 107416397) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide
PubChem CID107416397
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide
SMILESCC1CCCC1CNC(=O)c1cccc(CCN)c1
InChIInChI=1S/C16H24N2O/c1-12-4-2-7-15(12)11-18-16(19)14-6-3-5-13(10-14)8-9-17/h3,5-6,10,12,15H,2,4,7-9,11,17H2,1H3,(H,18,19)
InChIKeyANXNUPSJHNPDAO-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
3-(3-aminoprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420310
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide
CID 106274758
4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
4-fluoro-N-[(2-methylcyclopentyl)methyl]-3-sulfamoylbenzamide
CID 107421023
N-[(2-methylcyclopentyl)methyl]-3H-benzimidazole-5-carboxamide
CID 107420236
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
3-(2-aminoethyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 62593153
3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 62592616
3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363
N-[(2-methylcyclopentyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 107418395

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide (CID 107416397) is 3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide is CC1CCCC1CNC(=O)c1cccc(CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide?
The InChIKey is ANXNUPSJHNPDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-4-2-7-15(12)11-18-16(19)14-6-3-5-13(10-14)8-9-17/h3,5-6,10,12,15H,2,4,7-9,11,17H2,1H3,(H,18,19).
What are the key properties of 3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide?
3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide has a molecular weight of 260.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-[(2-methylcyclopentyl)methyl]benzamide is sourced from PubChem (CID 107416397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).