N-methyl-N-pentyl-2-phenylpropanamide

C15H23NO — CID 90809964

IUPACN-methyl-N-pentyl-2-phenylpropanamide
SMILESCCCCCN(C)C(=O)C(C)c1ccccc1
InChIInChI=1S/C15H23NO/c1-4-5-9-12-16(3)15(17)13(2)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3
InChIKeyXSFAGSYXKMYSPH-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.44
Rot. Bonds6

About N-methyl-N-pentyl-2-phenylpropanamide

N-methyl-N-pentyl-2-phenylpropanamide (PubChem CID 90809964) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-methyl-N-pentyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-N-pentyl-2-phenylpropanamide
PubChem CID90809964
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-methyl-N-pentyl-2-phenylpropanamide
SMILESCCCCCN(C)C(=O)C(C)c1ccccc1
InChIInChI=1S/C15H23NO/c1-4-5-9-12-16(3)15(17)13(2)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3
InChIKeyXSFAGSYXKMYSPH-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 4284
Methsuximide
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Phensuximide
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CID 163701
Milnacipran
CID 65833
Levomilnacipran
CID 6917779
N,N-Diethyl-2-phenylacetamide
CID 17076
N,N-Diethylbenzamide
CID 15542
2-Phenylbutanamide
CID 7011
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CID 121397
2-Methyl-N,N-diethylbenzamide
CID 75945

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentyl-2-phenylpropanamide?
The IUPAC name of N-methyl-N-pentyl-2-phenylpropanamide (CID 90809964) is N-methyl-N-pentyl-2-phenylpropanamide.
What is the SMILES notation for N-methyl-N-pentyl-2-phenylpropanamide?
The canonical SMILES for N-methyl-N-pentyl-2-phenylpropanamide is CCCCCN(C)C(=O)C(C)c1ccccc1.
What is the InChIKey of N-methyl-N-pentyl-2-phenylpropanamide?
The InChIKey is XSFAGSYXKMYSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-5-9-12-16(3)15(17)13(2)14-10-7-6-8-11-14/h6-8,10-11,13H,4-5,9,12H2,1-3H3.
What are the key properties of N-methyl-N-pentyl-2-phenylpropanamide?
N-methyl-N-pentyl-2-phenylpropanamide has a molecular weight of 233.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentyl-2-phenylpropanamide is sourced from PubChem (CID 90809964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).