(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride

C14H22ClN3O3 — CID 119274169

IUPAC(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
SMILESCOCCNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-20-8-7-16-13(18)10-17-14(19)12(15)9-11-5-3-2-4-6-11;/h2-6,12H,7-10,15H2,1H3,(H,16,18)(H,17,19);1H/t12-;/m0./s1
InChIKeyRNZFOIGOJYKLBZ-YDALLXLXSA-N
MW315.80 g/mol
LogP-0.14
Rot. Bonds8

About (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119274169) has the molecular formula C14H22ClN3O3 and a molecular weight of 315.80 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119274169
Molecular FormulaC14H22ClN3O3
Molecular Weight315.80 g/mol
Exact Mass315.13
IUPAC Name(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
SMILESCOCCNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1.Cl
InChIInChI=1S/C14H21N3O3.ClH/c1-20-8-7-16-13(18)10-17-14(19)12(15)9-11-5-3-2-4-6-11;/h2-6,12H,7-10,15H2,1H3,(H,16,18)(H,17,19);1H/t12-;/m0./s1
InChIKeyRNZFOIGOJYKLBZ-YDALLXLXSA-N
XLogP-0.14
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103795836
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119271418
(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride
CID 119308000
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
CID 103796209
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
(2S)-2-amino-N-[2-[6-(methylamino)hexylamino]-2-oxoethyl]-3-phenylpropanamide
CID 118485925
(2S)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-phenylpropanamide
CID 61275037
2-amino-N-[6-(2-methoxyethoxy)-2-oxohexyl]-3-phenylpropanamide;methane
CID 157084675
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride (CID 119274169) is (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride is COCCNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is RNZFOIGOJYKLBZ-YDALLXLXSA-N. The full InChI is InChI=1S/C14H21N3O3.ClH/c1-20-8-7-16-13(18)10-17-14(19)12(15)9-11-5-3-2-4-6-11;/h2-6,12H,7-10,15H2,1H3,(H,16,18)(H,17,19);1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 315.80 g/mol, XLogP of -0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119274169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).