3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide

C16H24N2O2 — CID 106398232

IUPAC3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide
SMILESC=CCCOCCNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-3-4-11-20-12-10-18-16(19)13(2)15(17)14-8-6-5-7-9-14/h3,5-9,13,15H,1,4,10-12,17H2,2H3,(H,18,19)
InChIKeyUXJNGKWFFBSXCS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.03
Rot. Bonds9

About 3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide

3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide (PubChem CID 106398232) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide
PubChem CID106398232
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide
SMILESC=CCCOCCNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-3-4-11-20-12-10-18-16(19)13(2)15(17)14-8-6-5-7-9-14/h3,5-9,13,15H,1,4,10-12,17H2,2H3,(H,18,19)
InChIKeyUXJNGKWFFBSXCS-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.03
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
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
(2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide
CID 106398265
3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
CID 115737917
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 115738057
2-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide
CID 106398332
3-amino-2-methyl-N-[3-(2-methylpropoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119693609
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide (CID 106398232) is 3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide is C=CCCOCCNC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide?
The InChIKey is UXJNGKWFFBSXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-11-20-12-10-18-16(19)13(2)15(17)14-8-6-5-7-9-14/h3,5-9,13,15H,1,4,10-12,17H2,2H3,(H,18,19).
What are the key properties of 3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide?
3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 106398232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).