2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide

C14H22N2O3 — CID 63261191

IUPAC2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-19-8-7-13(15)14(18)16-12(10-17)9-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10,15H2,1H3,(H,16,18)
InChIKeyCSWJWVZNPXHXKX-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.07
Rot. Bonds8

About 2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide

2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide (PubChem CID 63261191) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide
PubChem CID63261191
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-19-8-7-13(15)14(18)16-12(10-17)9-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10,15H2,1H3,(H,16,18)
InChIKeyCSWJWVZNPXHXKX-UHFFFAOYSA-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-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155862
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3-phenylpropanamide
CID 114155842
2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide
CID 107860995
(3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18341314
benzyl 2-amino-4-methoxybutanoate
CID 62479875
2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 107861017
2-methoxyethyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxobutanoate
CID 156622371
methyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoate
CID 11425598
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide (CID 63261191) is 2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide is COCCC(N)C(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide?
The InChIKey is CSWJWVZNPXHXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-19-8-7-13(15)14(18)16-12(10-17)9-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide?
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide 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 2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide is sourced from PubChem (CID 63261191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).