(2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide

C14H20N2O2 — CID 106398430

IUPAC(2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide
SMILESC=CCCOCCNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-2-3-10-18-11-9-16-14(17)13(15)12-7-5-4-6-8-12/h2,4-8,13H,1,3,9-11,15H2,(H,16,17)/t13-/m0/s1
InChIKeyQWBHUDOKMGHTFL-ZDUSSCGKSA-N
MW248.33 g/mol
LogP1.40
Rot. Bonds8

About (2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide

(2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide (PubChem CID 106398430) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide
PubChem CID106398430
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide
SMILESC=CCCOCCNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-2-3-10-18-11-9-16-14(17)13(15)12-7-5-4-6-8-12/h2,4-8,13H,1,3,9-11,15H2,(H,16,17)/t13-/m0/s1
InChIKeyQWBHUDOKMGHTFL-ZDUSSCGKSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
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-amino-N-(2-but-3-enoxyethyl)-2-(4-methylphenyl)acetamide
CID 106398332
3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide
CID 106398232
(2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide
CID 106398265
2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate
CID 104898331
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798
2-amino-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
CID 113450222
2-[2-(aminomethyl)phenyl]-N-(2-but-3-enoxyethyl)acetamide
CID 106398038
2-(2-aminophenyl)-N-(2-but-3-enoxyethyl)acetamide
CID 103950989
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide (CID 106398430) is (2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide is C=CCCOCCNC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide?
The InChIKey is QWBHUDOKMGHTFL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-10-18-11-9-16-14(17)13(15)12-7-5-4-6-8-12/h2,4-8,13H,1,3,9-11,15H2,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide?
(2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide is sourced from PubChem (CID 106398430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).