2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide

C15H22N2O2 — CID 106398332

IUPAC2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide
SMILESC=CCCOCCNC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O2/c1-3-4-10-19-11-9-17-15(18)14(16)13-7-5-12(2)6-8-13/h3,5-8,14H,1,4,9-11,16H2,2H3,(H,17,18)
InChIKeyWXXXBYBZEUWANT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.70
Rot. Bonds8

About 2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide

2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide (PubChem CID 106398332) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide
PubChem CID106398332
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide
SMILESC=CCCOCCNC(=O)C(N)c1ccc(C)cc1
InChIInChI=1S/C15H22N2O2/c1-3-4-10-19-11-9-17-15(18)14(16)13-7-5-12(2)6-8-13/h3,5-8,14H,1,4,9-11,16H2,2H3,(H,17,18)
InChIKeyWXXXBYBZEUWANT-UHFFFAOYSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.70
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

(2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide
CID 106398430
2-amino-2-(4-methylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 106151234
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide
CID 106398232
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide
CID 106151202
(2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide
CID 106398265
2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide
CID 120667657
2-amino-N-[2-(2-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667716
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106151199
2-amino-N-[2-(4-methylphenoxy)propyl]-2-(4-methylphenyl)acetamide
CID 120667389
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide (CID 106398332) is 2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide is C=CCCOCCNC(=O)C(N)c1ccc(C)cc1.
What is the InChIKey of 2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide?
The InChIKey is WXXXBYBZEUWANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-4-10-19-11-9-17-15(18)14(16)13-7-5-12(2)6-8-13/h3,5-8,14H,1,4,9-11,16H2,2H3,(H,17,18).
What are the key properties of 2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide?
2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106398332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).