5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide

C16H24N2O — CID 112516850

IUPAC5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide
SMILESCc1ccc(C)c(C(CCCN)C(=O)NC2CC2)c1
InChIInChI=1S/C16H24N2O/c1-11-5-6-12(2)15(10-11)14(4-3-9-17)16(19)18-13-7-8-13/h5-6,10,13-14H,3-4,7-9,17H2,1-2H3,(H,18,19)
InChIKeyCTQZMMKOZVZPPE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.40
Rot. Bonds6

About 5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide

5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide (PubChem CID 112516850) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide
PubChem CID112516850
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide
SMILESCc1ccc(C)c(C(CCCN)C(=O)NC2CC2)c1
InChIInChI=1S/C16H24N2O/c1-11-5-6-12(2)15(10-11)14(4-3-9-17)16(19)18-13-7-8-13/h5-6,10,13-14H,3-4,7-9,17H2,1-2H3,(H,18,19)
InChIKeyCTQZMMKOZVZPPE-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide?
The IUPAC name of 5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide (CID 112516850) is 5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide?
The canonical SMILES for 5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide is Cc1ccc(C)c(C(CCCN)C(=O)NC2CC2)c1.
What is the InChIKey of 5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide?
The InChIKey is CTQZMMKOZVZPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-5-6-12(2)15(10-11)14(4-3-9-17)16(19)18-13-7-8-13/h5-6,10,13-14H,3-4,7-9,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide?
5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide has a molecular weight of 260.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-2-(2,5-dimethylphenyl)pentanamide is sourced from PubChem (CID 112516850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).