1-(4-hexylphenyl)-3-(propylamino)propan-1-one

C18H29NO — CID 23635367

IUPAC1-(4-hexylphenyl)-3-(propylamino)propan-1-one
SMILESCCCCCCc1ccc(C(=O)CCNCCC)cc1
InChIInChI=1S/C18H29NO/c1-3-5-6-7-8-16-9-11-17(12-10-16)18(20)13-15-19-14-4-2/h9-12,19H,3-8,13-15H2,1-2H3
InChIKeyIHAKHGFZWJHPER-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.38
Rot. Bonds11

About 1-(4-hexylphenyl)-3-(propylamino)propan-1-one

1-(4-hexylphenyl)-3-(propylamino)propan-1-one (PubChem CID 23635367) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-hexylphenyl)-3-(propylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-hexylphenyl)-3-(propylamino)propan-1-one
PubChem CID23635367
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(4-hexylphenyl)-3-(propylamino)propan-1-one
SMILESCCCCCCc1ccc(C(=O)CCNCCC)cc1
InChIInChI=1S/C18H29NO/c1-3-5-6-7-8-16-9-11-17(12-10-16)18(20)13-15-19-14-4-2/h9-12,19H,3-8,13-15H2,1-2H3
InChIKeyIHAKHGFZWJHPER-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
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 1-(4-hexylphenyl)-3-(propylamino)propan-1-one?
The IUPAC name of 1-(4-hexylphenyl)-3-(propylamino)propan-1-one (CID 23635367) is 1-(4-hexylphenyl)-3-(propylamino)propan-1-one.
What is the SMILES notation for 1-(4-hexylphenyl)-3-(propylamino)propan-1-one?
The canonical SMILES for 1-(4-hexylphenyl)-3-(propylamino)propan-1-one is CCCCCCc1ccc(C(=O)CCNCCC)cc1.
What is the InChIKey of 1-(4-hexylphenyl)-3-(propylamino)propan-1-one?
The InChIKey is IHAKHGFZWJHPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-5-6-7-8-16-9-11-17(12-10-16)18(20)13-15-19-14-4-2/h9-12,19H,3-8,13-15H2,1-2H3.
What are the key properties of 1-(4-hexylphenyl)-3-(propylamino)propan-1-one?
1-(4-hexylphenyl)-3-(propylamino)propan-1-one has a molecular weight of 275.44 g/mol, XLogP of 4.38, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexylphenyl)-3-(propylamino)propan-1-one is sourced from PubChem (CID 23635367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).