(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide

C14H22N2O3 — CID 106247480

IUPAC(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide
SMILESCOCC(O)CCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-19-10-12(17)7-8-16-14(18)13(15)9-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10,15H2,1H3,(H,16,18)/t12?,13-/m0/s1
InChIKeyKJTRBUMGAJBQSC-ABLWVSNPSA-N
MW266.34 g/mol
LogP0.07
Rot. Bonds8

About (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide

(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide (PubChem CID 106247480) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide
PubChem CID106247480
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide
SMILESCOCC(O)CCNC(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-19-10-12(17)7-8-16-14(18)13(15)9-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10,15H2,1H3,(H,16,18)/t12?,13-/m0/s1
InChIKeyKJTRBUMGAJBQSC-ABLWVSNPSA-N
XLogP0.07
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
(2R)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide
CID 103796033
(2R)-2-amino-N-(3-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 78985598
(2S)-2-amino-N-(5-methoxypentyl)-3-phenylpropanamide;hydrochloride
CID 119308000
(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103795836
(2R)-2-amino-N-[4-(2-methoxyethoxy)butyl]-3-phenylpropanamide
CID 103796209
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119274169
1-(3-hydroxy-4-methoxybutyl)-3-phenylurea
CID 103875503
2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155862
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155842

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide (CID 106247480) is (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide is COCC(O)CCNC(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide?
The InChIKey is KJTRBUMGAJBQSC-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-19-10-12(17)7-8-16-14(18)13(15)9-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10,15H2,1H3,(H,16,18)/t12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide?
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 0.07, 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-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide is sourced from PubChem (CID 106247480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).