(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide

C16H26N2O3 — CID 103796209

IUPAC(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
SMILESCOCCOCCCCNC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H26N2O3/c1-20-11-12-21-10-6-5-9-18-16(19)15(17)13-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13,17H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyRWCKKMXLYFDILD-OAHLLOKOSA-N
MW294.40 g/mol
LogP1.12
Rot. Bonds11

About (2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide

(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide (PubChem CID 103796209) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
PubChem CID103796209
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
SMILESCOCCOCCCCNC(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H26N2O3/c1-20-11-12-21-10-6-5-9-18-16(19)15(17)13-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13,17H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyRWCKKMXLYFDILD-OAHLLOKOSA-N
XLogP1.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride
CID 119308000
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane
CID 157084675
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119274169
(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide
CID 61275037
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103795836
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide (CID 103796209) is (2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide is COCCOCCCCNC(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide?
The InChIKey is RWCKKMXLYFDILD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-20-11-12-21-10-6-5-9-18-16(19)15(17)13-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13,17H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide?
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 1.12, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide is sourced from PubChem (CID 103796209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).