N-(3-butoxypropyl)-3-phenylbutanamide

C17H27NO2 — CID 2915773

IUPACN-(3-butoxypropyl)-3-phenylbutanamide
SMILESCCCCOCCCNC(=O)CC(C)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-3-4-12-20-13-8-11-18-17(19)14-15(2)16-9-6-5-7-10-16/h5-7,9-10,15H,3-4,8,11-14H2,1-2H3,(H,18,19)
InChIKeyYCNSKDIRTUCLJW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.50
Rot. Bonds10

About N-(3-butoxypropyl)-3-phenylbutanamide

N-(3-butoxypropyl)-3-phenylbutanamide (PubChem CID 2915773) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3-phenylbutanamide
PubChem CID2915773
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(3-butoxypropyl)-3-phenylbutanamide
SMILESCCCCOCCCNC(=O)CC(C)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-3-4-12-20-13-8-11-18-17(19)14-15(2)16-9-6-5-7-10-16/h5-7,9-10,15H,3-4,8,11-14H2,1-2H3,(H,18,19)
InChIKeyYCNSKDIRTUCLJW-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.50
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 N-(3-butoxypropyl)-3-phenylbutanamide?
The IUPAC name of N-(3-butoxypropyl)-3-phenylbutanamide (CID 2915773) is N-(3-butoxypropyl)-3-phenylbutanamide.
What is the SMILES notation for N-(3-butoxypropyl)-3-phenylbutanamide?
The canonical SMILES for N-(3-butoxypropyl)-3-phenylbutanamide is CCCCOCCCNC(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(3-butoxypropyl)-3-phenylbutanamide?
The InChIKey is YCNSKDIRTUCLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-4-12-20-13-8-11-18-17(19)14-15(2)16-9-6-5-7-10-16/h5-7,9-10,15H,3-4,8,11-14H2,1-2H3,(H,18,19).
What are the key properties of N-(3-butoxypropyl)-3-phenylbutanamide?
N-(3-butoxypropyl)-3-phenylbutanamide has a molecular weight of 277.41 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3-phenylbutanamide is sourced from PubChem (CID 2915773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).