3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide

C17H20N2O3 — CID 57057226

IUPAC3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide
SMILESCC(O)C(NCc1ccc(Oc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C17H20N2O3/c1-12(20)16(17(18)21)19-11-13-7-9-15(10-8-13)22-14-5-3-2-4-6-14/h2-10,12,16,19-20H,11H2,1H3,(H2,18,21)
InChIKeyTUKILHAVJWZNEN-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.80
Rot. Bonds7

About 3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide

3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide (PubChem CID 57057226) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide.

Molecular Properties

Compound Name3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide
PubChem CID57057226
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide
SMILESCC(O)C(NCc1ccc(Oc2ccccc2)cc1)C(N)=O
InChIInChI=1S/C17H20N2O3/c1-12(20)16(17(18)21)19-11-13-7-9-15(10-8-13)22-14-5-3-2-4-6-14/h2-10,12,16,19-20H,11H2,1H3,(H2,18,21)
InChIKeyTUKILHAVJWZNEN-UHFFFAOYSA-N
XLogP1.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(4-phenylphenyl)methylamino]pentanamide
CID 77328442
2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylamino]-3-hydroxybutanamide
CID 91032921
(2S)-2-[[4-(4-chlorophenoxy)phenyl]methylamino]-2-phenylacetamide
CID 151046372
4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide
CID 43283523
(2S)-3-methyl-2-[(3-phenoxyphenyl)methylamino]butanoic acid
CID 120510625
methyl (2R,3S)-3-hydroxy-2-(naphthalen-2-ylmethylamino)butanoate
CID 129401896
(2S,3R)-2-(benzylamino)-3-hydroxybutanoic acid;(2S,3R)-3-hydroxy-2-(methylamino)butanoic acid
CID 158563738
methyl (2S)-2-(benzylamino)-3-methylpentanoate
CID 71027070
4-[[(1-amino-3-methyl-1-oxobutan-2-yl)amino]methyl]benzoic acid
CID 106344350
(2S)-2-[[4-(1-phenylethoxy)phenyl]methylamino]propanamide
CID 70078273
ethane;2-(4-phenoxyphenyl)acetamide
CID 142070944
methyl (2S)-2-(benzylamino)-3-methylbutanoate;hydrochloride
CID 56777091

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide?
The IUPAC name of 3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide (CID 57057226) is 3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide.
What is the SMILES notation for 3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide?
The canonical SMILES for 3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide is CC(O)C(NCc1ccc(Oc2ccccc2)cc1)C(N)=O.
What is the InChIKey of 3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide?
The InChIKey is TUKILHAVJWZNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(20)16(17(18)21)19-11-13-7-9-15(10-8-13)22-14-5-3-2-4-6-14/h2-10,12,16,19-20H,11H2,1H3,(H2,18,21).
What are the key properties of 3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide?
3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide has a molecular weight of 300.36 g/mol, XLogP of 1.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(4-phenoxyphenyl)methylamino]butanamide is sourced from PubChem (CID 57057226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).