N'-butyl-2-phenylpropanediamide

C13H18N2O2 — CID 70180418

IUPACN'-butyl-2-phenylpropanediamide
SMILESCCCCNC(=O)C(C(N)=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-2-3-9-15-13(17)11(12(14)16)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyKGPOYLGTJUUIGW-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.17
Rot. Bonds6

About N'-butyl-2-phenylpropanediamide

N'-butyl-2-phenylpropanediamide (PubChem CID 70180418) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-butyl-2-phenylpropanediamide.

Molecular Properties

Compound NameN'-butyl-2-phenylpropanediamide
PubChem CID70180418
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN'-butyl-2-phenylpropanediamide
SMILESCCCCNC(=O)C(C(N)=O)c1ccccc1
InChIInChI=1S/C13H18N2O2/c1-2-3-9-15-13(17)11(12(14)16)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyKGPOYLGTJUUIGW-UHFFFAOYSA-N
XLogP1.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-butyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876860
(3Z)-3-amino-N-butyl-3-hydroxyimino-2-phenylpropanamide
CID 55128921
N,N'-dihexyl-2-phenylpropanediamide
CID 3396321
N-butyl-2-phenylpropanamide
CID 101453557
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
2-(butylamino)-2-phenylacetamide
CID 14569005
N'-benzyl-2-phenylpropanediamide
CID 57080466
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
N-dodecyl-2,2-diphenylacetamide
CID 5143289
ethyl 4-(butylamino)-4-oxo-3-phenylbutanoate
CID 10802492
N-butyl-2-methyl-3-phenylpropanamide
CID 70830385
1-butyl-3-(3-phenylbutyl)urea
CID 115600283

Frequently Asked Questions

What is the IUPAC name of N'-butyl-2-phenylpropanediamide?
The IUPAC name of N'-butyl-2-phenylpropanediamide (CID 70180418) is N'-butyl-2-phenylpropanediamide.
What is the SMILES notation for N'-butyl-2-phenylpropanediamide?
The canonical SMILES for N'-butyl-2-phenylpropanediamide is CCCCNC(=O)C(C(N)=O)c1ccccc1.
What is the InChIKey of N'-butyl-2-phenylpropanediamide?
The InChIKey is KGPOYLGTJUUIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-3-9-15-13(17)11(12(14)16)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N'-butyl-2-phenylpropanediamide?
N'-butyl-2-phenylpropanediamide has a molecular weight of 234.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-2-phenylpropanediamide is sourced from PubChem (CID 70180418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).