2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide

C17H28N2O — CID 143642916

IUPAC2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide
SMILESCCCc1ccccc1CCCNC(=O)C(CC)NC
InChIInChI=1S/C17H28N2O/c1-4-9-14-10-6-7-11-15(14)12-8-13-19-17(20)16(5-2)18-3/h6-7,10-11,16,18H,4-5,8-9,12-13H2,1-3H3,(H,19,20)
InChIKeyGDEBOIWFLVGLDT-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.69
Rot. Bonds9

About 2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide

2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide (PubChem CID 143642916) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide
PubChem CID143642916
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide
SMILESCCCc1ccccc1CCCNC(=O)C(CC)NC
InChIInChI=1S/C17H28N2O/c1-4-9-14-10-6-7-11-15(14)12-8-13-19-17(20)16(5-2)18-3/h6-7,10-11,16,18H,4-5,8-9,12-13H2,1-3H3,(H,19,20)
InChIKeyGDEBOIWFLVGLDT-UHFFFAOYSA-N
XLogP2.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide?
The IUPAC name of 2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide (CID 143642916) is 2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide.
What is the SMILES notation for 2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide?
The canonical SMILES for 2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide is CCCc1ccccc1CCCNC(=O)C(CC)NC.
What is the InChIKey of 2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide?
The InChIKey is GDEBOIWFLVGLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-9-14-10-6-7-11-15(14)12-8-13-19-17(20)16(5-2)18-3/h6-7,10-11,16,18H,4-5,8-9,12-13H2,1-3H3,(H,19,20).
What are the key properties of 2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide?
2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide has a molecular weight of 276.42 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-(2-propylphenyl)propyl]butanamide is sourced from PubChem (CID 143642916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).