N-(3-phenylpropyl)-4-propan-2-ylbenzamide

C19H23NO — CID 2169905

IUPACN-(3-phenylpropyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-15(2)17-10-12-18(13-11-17)19(21)20-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,20,21)
InChIKeyBHMDTVXMLXYSOG-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.17
Rot. Bonds6

About N-(3-phenylpropyl)-4-propan-2-ylbenzamide

N-(3-phenylpropyl)-4-propan-2-ylbenzamide (PubChem CID 2169905) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3-phenylpropyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-4-propan-2-ylbenzamide
PubChem CID2169905
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-(3-phenylpropyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-15(2)17-10-12-18(13-11-17)19(21)20-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,20,21)
InChIKeyBHMDTVXMLXYSOG-UHFFFAOYSA-N
XLogP4.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(3-phenylpropyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(3-phenylpropyl)-4-propan-2-ylbenzamide (CID 2169905) is N-(3-phenylpropyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-phenylpropyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(3-phenylpropyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of N-(3-phenylpropyl)-4-propan-2-ylbenzamide?
The InChIKey is BHMDTVXMLXYSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15(2)17-10-12-18(13-11-17)19(21)20-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,20,21).
What are the key properties of N-(3-phenylpropyl)-4-propan-2-ylbenzamide?
N-(3-phenylpropyl)-4-propan-2-ylbenzamide has a molecular weight of 281.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 2169905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).