3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide

C14H22N2O3 — CID 106161073

IUPAC3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide
SMILESCOCC(CCO)NC(=O)C(CN)c1ccccc1
InChIInChI=1S/C14H22N2O3/c1-19-10-12(7-8-17)16-14(18)13(9-15)11-5-3-2-4-6-11/h2-6,12-13,17H,7-10,15H2,1H3,(H,16,18)
InChIKeyJWHKSJAIYLFMGE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.24
Rot. Bonds8

About 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide

3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide (PubChem CID 106161073) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide
PubChem CID106161073
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide
SMILESCOCC(CCO)NC(=O)C(CN)c1ccccc1
InChIInChI=1S/C14H22N2O3/c1-19-10-12(7-8-17)16-14(18)13(9-15)11-5-3-2-4-6-11/h2-6,12-13,17H,7-10,15H2,1H3,(H,16,18)
InChIKeyJWHKSJAIYLFMGE-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-phenylpropanamide
CID 65047695
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-phenylpropanamide
CID 106161030
3-amino-N-(1,3-dihydroxypropan-2-yl)-2-phenylpropanamide
CID 65314592
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide
CID 103850827
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799437
3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 106161001
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 81363517
(2S)-2-amino-N-(1-methoxybutan-2-yl)-2-phenylacetamide
CID 104897960
2-[(3-amino-2-phenylpropanoyl)amino]-3-methylbutanamide
CID 106344661

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide (CID 106161073) is 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide is COCC(CCO)NC(=O)C(CN)c1ccccc1.
What is the InChIKey of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide?
The InChIKey is JWHKSJAIYLFMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-19-10-12(7-8-17)16-14(18)13(9-15)11-5-3-2-4-6-11/h2-6,12-13,17H,7-10,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide?
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylpropanamide is sourced from PubChem (CID 106161073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).