(3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide

C18H21NO5 — CID 11088854

IUPAC(3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide
SMILESCOc1ccc(OC[C@H](O)CC(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C18H21NO5/c1-22-16-7-9-17(10-8-16)23-13-15(20)11-18(21)19-24-12-14-5-3-2-4-6-14/h2-10,15,20H,11-13H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyGDUOOMMRAUUBJN-OAHLLOKOSA-N
MW331.37 g/mol
LogP2.07
Rot. Bonds9

About (3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide

(3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide (PubChem CID 11088854) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is (3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide.

Molecular Properties

Compound Name(3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide
PubChem CID11088854
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name(3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide
SMILESCOc1ccc(OC[C@H](O)CC(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C18H21NO5/c1-22-16-7-9-17(10-8-16)23-13-15(20)11-18(21)19-24-12-14-5-3-2-4-6-14/h2-10,15,20H,11-13H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyGDUOOMMRAUUBJN-OAHLLOKOSA-N
XLogP2.07
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-hydroxy-4-oxo-4-(phenylmethoxyamino)butyl] acetate
CID 14082372
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
3-methyl-N-phenylmethoxypentanamide
CID 114875336
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
2-(4-acetylphenoxy)-N-phenylmethoxyacetamide
CID 26062081
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
CID 2812098
benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate
CID 102235547
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
(3S)-3-hydroxy-4-phenylmethoxybutanehydrazide
CID 54516558
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7025078

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide?
The IUPAC name of (3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide (CID 11088854) is (3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide.
What is the SMILES notation for (3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide?
The canonical SMILES for (3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide is COc1ccc(OC[C@H](O)CC(=O)NOCc2ccccc2)cc1.
What is the InChIKey of (3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide?
The InChIKey is GDUOOMMRAUUBJN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NO5/c1-22-16-7-9-17(10-8-16)23-13-15(20)11-18(21)19-24-12-14-5-3-2-4-6-14/h2-10,15,20H,11-13H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide?
(3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide has a molecular weight of 331.37 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-4-(4-methoxyphenoxy)-N-phenylmethoxybutanamide is sourced from PubChem (CID 11088854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).