N-butyl-2-phenylpropanamide

C13H19NO — CID 101453557

IUPACN-butyl-2-phenylpropanamide
SMILESCCCCNC(=O)C(C)c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-4-10-14-13(15)11(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,14,15)
InChIKeyDFBLKHOZUQIQOS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.71
Rot. Bonds5

About N-butyl-2-phenylpropanamide

N-butyl-2-phenylpropanamide (PubChem CID 101453557) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-butyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-butyl-2-phenylpropanamide
PubChem CID101453557
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-butyl-2-phenylpropanamide
SMILESCCCCNC(=O)C(C)c1ccccc1
InChIInChI=1S/C13H19NO/c1-3-4-10-14-13(15)11(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,14,15)
InChIKeyDFBLKHOZUQIQOS-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.71
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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Related Compounds

N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
N-(4-chloropentyl)-2-phenylpropanamide
CID 106129293
N'-butyl-2-phenylpropanediamide
CID 70180418
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
methyl 6-(2-phenylpropanoylamino)hexanoate
CID 104916813
N-dodecyl-2,2-diphenylacetamide
CID 5143289
N,N'-dihexyl-2-phenylpropanediamide
CID 3396321
1-butyl-3-(3-phenylbutyl)urea
CID 115600283
2-phenyl-N-prop-2-ynylpropanamide
CID 104916558
3-butyl-1-methyl-1-(1-phenylethyl)urea
CID 102439407
3-amino-N-butyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876860
2-(3-bromophenyl)-N-hexylpropanamide
CID 176514304

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-phenylpropanamide?
The IUPAC name of N-butyl-2-phenylpropanamide (CID 101453557) is N-butyl-2-phenylpropanamide.
What is the SMILES notation for N-butyl-2-phenylpropanamide?
The canonical SMILES for N-butyl-2-phenylpropanamide is CCCCNC(=O)C(C)c1ccccc1.
What is the InChIKey of N-butyl-2-phenylpropanamide?
The InChIKey is DFBLKHOZUQIQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-4-10-14-13(15)11(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,14,15).
What are the key properties of N-butyl-2-phenylpropanamide?
N-butyl-2-phenylpropanamide has a molecular weight of 205.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-phenylpropanamide is sourced from PubChem (CID 101453557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).