N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide

C14H20N2O — CID 3516121

IUPACN-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide
SMILESCC(=NNC(=O)CCc1ccccc1)C(C)C
InChIInChI=1S/C14H20N2O/c1-11(2)12(3)15-16-14(17)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,16,17)
InChIKeyPGGPLQSZNXQMNE-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.77
Rot. Bonds5

About N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide

N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide (PubChem CID 3516121) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide
PubChem CID3516121
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide
SMILESCC(=NNC(=O)CCc1ccccc1)C(C)C
InChIInChI=1S/C14H20N2O/c1-11(2)12(3)15-16-14(17)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,16,17)
InChIKeyPGGPLQSZNXQMNE-UHFFFAOYSA-N
XLogP2.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide?
The IUPAC name of N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide (CID 3516121) is N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide.
What is the SMILES notation for N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide?
The canonical SMILES for N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide is CC(=NNC(=O)CCc1ccccc1)C(C)C.
What is the InChIKey of N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide?
The InChIKey is PGGPLQSZNXQMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11(2)12(3)15-16-14(17)10-9-13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide?
N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide has a molecular weight of 232.33 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-ylideneamino)-3-phenylpropanamide is sourced from PubChem (CID 3516121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).