2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide

C16H23N3O2 — CID 63589438

IUPAC2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide
SMILESNCc1ccc(CC(=O)N(CC(N)=O)C2CCCC2)cc1
InChIInChI=1S/C16H23N3O2/c17-10-13-7-5-12(6-8-13)9-16(21)19(11-15(18)20)14-3-1-2-4-14/h5-8,14H,1-4,9-11,17H2,(H2,18,20)
InChIKeyOWAXQTGBQPBFPR-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.94
Rot. Bonds6

About 2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide

2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide (PubChem CID 63589438) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide
PubChem CID63589438
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide
SMILESNCc1ccc(CC(=O)N(CC(N)=O)C2CCCC2)cc1
InChIInChI=1S/C16H23N3O2/c17-10-13-7-5-12(6-8-13)9-16(21)19(11-15(18)20)14-3-1-2-4-14/h5-8,14H,1-4,9-11,17H2,(H2,18,20)
InChIKeyOWAXQTGBQPBFPR-UHFFFAOYSA-N
XLogP0.94
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide (CID 63589438) is 2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide is NCc1ccc(CC(=O)N(CC(N)=O)C2CCCC2)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide?
The InChIKey is OWAXQTGBQPBFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-10-13-7-5-12(6-8-13)9-16(21)19(11-15(18)20)14-3-1-2-4-14/h5-8,14H,1-4,9-11,17H2,(H2,18,20).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide?
2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide has a molecular weight of 289.38 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-(2-amino-2-oxoethyl)-N-cyclopentylacetamide is sourced from PubChem (CID 63589438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).