N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide

C17H21NO2 — CID 51149871

IUPACN-tert-butyl-3-(5-phenylfuran-2-yl)propanamide
SMILESCC(C)(C)NC(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C17H21NO2/c1-17(2,3)18-16(19)12-10-14-9-11-15(20-14)13-7-5-4-6-8-13/h4-9,11H,10,12H2,1-3H3,(H,18,19)
InChIKeyMQXUBEAKRKKNOA-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.79
Rot. Bonds4

About N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide

N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 51149871) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(5-phenylfuran-2-yl)propanamide
PubChem CID51149871
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-tert-butyl-3-(5-phenylfuran-2-yl)propanamide
SMILESCC(C)(C)NC(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C17H21NO2/c1-17(2,3)18-16(19)12-10-14-9-11-15(20-14)13-7-5-4-6-8-13/h4-9,11H,10,12H2,1-3H3,(H,18,19)
InChIKeyMQXUBEAKRKKNOA-UHFFFAOYSA-N
XLogP3.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide
CID 111480285
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide
CID 111436212
3-(5-phenylfuran-2-yl)-N-(2-phenylpropyl)propanamide
CID 42907748
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 42377200
3-methyl-2-[3-(5-phenylfuran-2-yl)propanoylamino]pentanamide
CID 78773204
N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide
CID 22587391
N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide
CID 26811818
N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide
CID 9418178
N-(3-phenoxypropyl)-3-(5-phenylfuran-2-yl)propanamide
CID 18120278
3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 56558109
3-(5-phenylfuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483404
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide
CID 46554729

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide (CID 51149871) is N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide is CC(C)(C)NC(=O)CCc1ccc(-c2ccccc2)o1.
What is the InChIKey of N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is MQXUBEAKRKKNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2,3)18-16(19)12-10-14-9-11-15(20-14)13-7-5-4-6-8-13/h4-9,11H,10,12H2,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide?
N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 51149871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).