N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide

C18H21NO5 — CID 800926

IUPACN-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](O)COc2ccccc2OC)cc1
InChIInChI=1S/C18H21NO5/c1-22-15-9-7-13(8-10-15)18(21)19-11-14(20)12-24-17-6-4-3-5-16(17)23-2/h3-10,14,20H,11-12H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyVOODAQHZCPMAOU-CQSZACIVSA-N
MW331.37 g/mol
LogP1.87
Rot. Bonds8

About N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide

N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide (PubChem CID 800926) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
PubChem CID800926
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC NameN-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@@H](O)COc2ccccc2OC)cc1
InChIInChI=1S/C18H21NO5/c1-22-15-9-7-13(8-10-15)18(21)19-11-14(20)12-24-17-6-4-3-5-16(17)23-2/h3-10,14,20H,11-12H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyVOODAQHZCPMAOU-CQSZACIVSA-N
XLogP1.87
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
CID 7324383
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796
N-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methyl-3-nitrobenzamide
CID 3885811
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-nitrobenzamide
CID 889930
4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide
CID 84567072
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
CID 2812098
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxybenzamide
CID 107260916
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-3,4,5-trimethoxybenzamide
CID 7297778
4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide
CID 95344832
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
CID 60901229
N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide
CID 51545646
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide
CID 167969333

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide (CID 800926) is N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@@H](O)COc2ccccc2OC)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide?
The InChIKey is VOODAQHZCPMAOU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21NO5/c1-22-15-9-7-13(8-10-15)18(21)19-11-14(20)12-24-17-6-4-3-5-16(17)23-2/h3-10,14,20H,11-12H2,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide?
N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide has a molecular weight of 331.37 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide is sourced from PubChem (CID 800926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).