N-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide

C14H18N2O — CID 176910868

IUPACN-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide
SMILESC=CCCN(N=Cc1ccc(C)cc1)C(C)=O
InChIInChI=1S/C14H18N2O/c1-4-5-10-16(13(3)17)15-11-14-8-6-12(2)7-9-14/h4,6-9,11H,1,5,10H2,2-3H3
InChIKeySCOUZZQQPWBYPH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.75
Rot. Bonds5

About N-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide

N-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide (PubChem CID 176910868) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide
PubChem CID176910868
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide
SMILESC=CCCN(N=Cc1ccc(C)cc1)C(C)=O
InChIInChI=1S/C14H18N2O/c1-4-5-10-16(13(3)17)15-11-14-8-6-12(2)7-9-14/h4,6-9,11H,1,5,10H2,2-3H3
InChIKeySCOUZZQQPWBYPH-UHFFFAOYSA-N
XLogP2.75
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide?
The IUPAC name of N-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide (CID 176910868) is N-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for N-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for N-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide is C=CCCN(N=Cc1ccc(C)cc1)C(C)=O.
What is the InChIKey of N-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide?
The InChIKey is SCOUZZQQPWBYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-5-10-16(13(3)17)15-11-14-8-6-12(2)7-9-14/h4,6-9,11H,1,5,10H2,2-3H3.
What are the key properties of N-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide?
N-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide has a molecular weight of 230.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-[(4-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 176910868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).