N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide

C16H24N2O — CID 102873861

IUPACN-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide
SMILESNCCCN(C(=O)CCc1ccccc1)C1CCC1
InChIInChI=1S/C16H24N2O/c17-12-5-13-18(15-8-4-9-15)16(19)11-10-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,17H2
InChIKeyKGYSQOMWWPEKHY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.35
Rot. Bonds7

About N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide

N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide (PubChem CID 102873861) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide
PubChem CID102873861
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide
SMILESNCCCN(C(=O)CCc1ccccc1)C1CCC1
InChIInChI=1S/C16H24N2O/c17-12-5-13-18(15-8-4-9-15)16(19)11-10-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,17H2
InChIKeyKGYSQOMWWPEKHY-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide (CID 102873861) is N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide is NCCCN(C(=O)CCc1ccccc1)C1CCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide?
The InChIKey is KGYSQOMWWPEKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-12-5-13-18(15-8-4-9-15)16(19)11-10-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13,17H2.
What are the key properties of N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide?
N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide is sourced from PubChem (CID 102873861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).