2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide

C15H22N2O2 — CID 106398038

IUPAC2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide
SMILESC=CCCOCCNC(=O)Cc1ccccc1CN
InChIInChI=1S/C15H22N2O2/c1-2-3-9-19-10-8-17-15(18)11-13-6-4-5-7-14(13)12-16/h2,4-7H,1,3,8-12,16H2,(H,17,18)
InChIKeyQVXZVBSJPZBEBD-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.40
Rot. Bonds9

About 2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide (PubChem CID 106398038) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide
PubChem CID106398038
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide
SMILESC=CCCOCCNC(=O)Cc1ccccc1CN
InChIInChI=1S/C15H22N2O2/c1-2-3-9-19-10-8-17-15(18)11-13-6-4-5-7-14(13)12-16/h2,4-7H,1,3,8-12,16H2,(H,17,18)
InChIKeyQVXZVBSJPZBEBD-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide
CID 103950989
2-[2-(aminomethyl)phenyl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 81322828
(2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide
CID 106398430
2-[2-(aminomethyl)phenyl]-N-(3-ethoxypropyl)acetamide
CID 81318083
N-(2-but-3-enoxyethyl)-2,6-dihydroxybenzamide
CID 103890690
(2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide
CID 106398265
3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide
CID 106398232
7-amino-N-(2-but-3-enoxyethyl)heptanamide
CID 114183717
2-but-3-enoxyethylurea
CID 103852774
2-(2-aminophenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499909
3-amino-N-(2-but-3-enoxyethyl)-2-chlorobenzamide
CID 106391815
2-[2-(aminomethyl)phenyl]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 81317526

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide (CID 106398038) is 2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide is C=CCCOCCNC(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide?
The InChIKey is QVXZVBSJPZBEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-9-19-10-8-17-15(18)11-13-6-4-5-7-14(13)12-16/h2,4-7H,1,3,8-12,16H2,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide is sourced from PubChem (CID 106398038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).