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

C15H22N2O2 — CID 106398265

IUPAC(2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide
SMILESC=CCCOCCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-3-10-19-11-9-17-15(18)14(16)12-13-7-5-4-6-8-13/h2,4-8,14H,1,3,9-12,16H2,(H,17,18)/t14-/m0/s1
InChIKeyHPKVPWMWVDZNFZ-AWEZNQCLSA-N
MW262.35 g/mol
LogP1.27
Rot. Bonds9

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

(2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide (PubChem CID 106398265) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide
PubChem CID106398265
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide
SMILESC=CCCOCCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-2-3-10-19-11-9-17-15(18)14(16)12-13-7-5-4-6-8-13/h2,4-8,14H,1,3,9-12,16H2,(H,17,18)/t14-/m0/s1
InChIKeyHPKVPWMWVDZNFZ-AWEZNQCLSA-N
XLogP1.27
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 ≤ 51.27
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-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide
CID 61275037
(2S)-2-amino-N-(2-but-3-enoxyethyl)-2-phenylacetamide
CID 106398430
(2R)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide
CID 106236520
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide
CID 106236678
3-amino-N-(2-but-3-enoxyethyl)-2-methyl-3-phenylpropanamide
CID 106398232
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
CID 103796209
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119274169
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide (CID 106398265) is (2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide is C=CCCOCCNC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide?
The InChIKey is HPKVPWMWVDZNFZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-10-19-11-9-17-15(18)14(16)12-13-7-5-4-6-8-13/h2,4-8,14H,1,3,9-12,16H2,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide?
(2S)-2-amino-N-(2-but-3-enoxyethyl)-3-phenylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 1.27, 9 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)-3-phenylpropanamide is sourced from PubChem (CID 106398265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).