2-amino-N-(3-methoxypropyl)-3-phenylpropanamide

C13H20N2O2 — CID 43153328

IUPAC2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
SMILESCOCCCNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-17-9-5-8-15-13(16)12(14)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,14H2,1H3,(H,15,16)
InChIKeyBHRROCXFFOWRJY-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.71
Rot. Bonds7

About 2-amino-N-(3-methoxypropyl)-3-phenylpropanamide

2-amino-N-(3-methoxypropyl)-3-phenylpropanamide (PubChem CID 43153328) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-(3-methoxypropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
PubChem CID43153328
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
SMILESCOCCCNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-17-9-5-8-15-13(16)12(14)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,14H2,1H3,(H,15,16)
InChIKeyBHRROCXFFOWRJY-UHFFFAOYSA-N
XLogP0.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
CID 103796209
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103795836
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119274169
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide
CID 106247480
2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride
CID 119273566
(2S)-2-amino-N-(8-aminooctyl)-3-phenylpropanamide
CID 134824441

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methoxypropyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(3-methoxypropyl)-3-phenylpropanamide (CID 43153328) is 2-amino-N-(3-methoxypropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(3-methoxypropyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(3-methoxypropyl)-3-phenylpropanamide is COCCCNC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(3-methoxypropyl)-3-phenylpropanamide?
The InChIKey is BHRROCXFFOWRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-17-9-5-8-15-13(16)12(14)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(3-methoxypropyl)-3-phenylpropanamide?
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methoxypropyl)-3-phenylpropanamide is sourced from PubChem (CID 43153328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).