2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide

C14H20N2O — CID 106591801

IUPAC2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide
SMILESC=CCC(C)NC(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C14H20N2O/c1-4-6-10(2)16-14(17)11(3)12-7-5-8-13(15)9-12/h4-5,7-11H,1,6,15H2,2-3H3,(H,16,17)
InChIKeyBQTPJYHQRJFQLV-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.45
Rot. Bonds5

About 2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide

2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide (PubChem CID 106591801) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide
PubChem CID106591801
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide
SMILESC=CCC(C)NC(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C14H20N2O/c1-4-6-10(2)16-14(17)11(3)12-7-5-8-13(15)9-12/h4-5,7-11H,1,6,15H2,2-3H3,(H,16,17)
InChIKeyBQTPJYHQRJFQLV-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(3-aminophenyl)propanoylamino]-3-methylbutanoate
CID 106590886
2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide
CID 106591692
2-(3-aminophenyl)-N-(2,3,3-trimethylbutyl)propanamide
CID 106591730
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
2-hydroxypropyl 2-(3-aminophenyl)propanoate
CID 106592560
2-(3-aminophenyl)propanoate
CID 71650577
2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
CID 106590701
2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107864338

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide?
The IUPAC name of 2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide (CID 106591801) is 2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide is C=CCC(C)NC(=O)C(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide?
The InChIKey is BQTPJYHQRJFQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-6-10(2)16-14(17)11(3)12-7-5-8-13(15)9-12/h4-5,7-11H,1,6,15H2,2-3H3,(H,16,17).
What are the key properties of 2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide?
2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide has a molecular weight of 232.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-pent-4-en-2-ylpropanamide is sourced from PubChem (CID 106591801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).