2-(butylaminomethyl)-N-phenylprop-2-enamide

C14H20N2O — CID 10376659

IUPAC2-(butylaminomethyl)-N-phenylprop-2-enamide
SMILESC=C(CNCCCC)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O/c1-3-4-10-15-11-12(2)14(17)16-13-8-6-5-7-9-13/h5-9,15H,2-4,10-11H2,1H3,(H,16,17)
InChIKeyVTDQZCMSIYENPY-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.57
Rot. Bonds7

About 2-(butylaminomethyl)-N-phenylprop-2-enamide

2-(butylaminomethyl)-N-phenylprop-2-enamide (PubChem CID 10376659) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(butylaminomethyl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name2-(butylaminomethyl)-N-phenylprop-2-enamide
PubChem CID10376659
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(butylaminomethyl)-N-phenylprop-2-enamide
SMILESC=C(CNCCCC)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O/c1-3-4-10-15-11-12(2)14(17)16-13-8-6-5-7-9-13/h5-9,15H,2-4,10-11H2,1H3,(H,16,17)
InChIKeyVTDQZCMSIYENPY-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N'-phenyloxamide
CID 2290889
4-methyl-2-methylidene-N-phenylpent-4-enamide
CID 53236011
N'-phenyl-N-propyloxamide
CID 2291438
N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide
CID 54815494
2-anilino-N-phenylprop-2-enamide
CID 20522355
2-(butylamino)-N-(4-ethylphenyl)acetamide
CID 108993075
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
2-(4-dodecoxyanilino)-N-phenylprop-2-enamide;ethane
CID 91513037
2-(hexylamino)-1-phenylethanone
CID 82101185
1-dodecyl-3-phenylurea
CID 3697946
N-(2-ethylhexyl)-N'-phenyloxamide
CID 3102544
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030

Frequently Asked Questions

What is the IUPAC name of 2-(butylaminomethyl)-N-phenylprop-2-enamide?
The IUPAC name of 2-(butylaminomethyl)-N-phenylprop-2-enamide (CID 10376659) is 2-(butylaminomethyl)-N-phenylprop-2-enamide.
What is the SMILES notation for 2-(butylaminomethyl)-N-phenylprop-2-enamide?
The canonical SMILES for 2-(butylaminomethyl)-N-phenylprop-2-enamide is C=C(CNCCCC)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(butylaminomethyl)-N-phenylprop-2-enamide?
The InChIKey is VTDQZCMSIYENPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-4-10-15-11-12(2)14(17)16-13-8-6-5-7-9-13/h5-9,15H,2-4,10-11H2,1H3,(H,16,17).
What are the key properties of 2-(butylaminomethyl)-N-phenylprop-2-enamide?
2-(butylaminomethyl)-N-phenylprop-2-enamide has a molecular weight of 232.33 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylaminomethyl)-N-phenylprop-2-enamide is sourced from PubChem (CID 10376659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).