4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide

C20H25NO4 — CID 95344832

IUPAC4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide
SMILESCCc1ccc(C(=O)NC[C@H](O)COCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H25NO4/c1-3-15-4-8-17(9-5-15)20(23)21-12-18(22)14-25-13-16-6-10-19(24-2)11-7-16/h4-11,18,22H,3,12-14H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyCQWIAICGFXHFQH-SFHVURJKSA-N
MW343.42 g/mol
LogP2.57
Rot. Bonds9

About 4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide

4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide (PubChem CID 95344832) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide
PubChem CID95344832
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide
SMILESCCc1ccc(C(=O)NC[C@H](O)COCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H25NO4/c1-3-15-4-8-17(9-5-15)20(23)21-12-18(22)14-25-13-16-6-10-19(24-2)11-7-16/h4-11,18,22H,3,12-14H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyCQWIAICGFXHFQH-SFHVURJKSA-N
XLogP2.57
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
CID 51094308
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-(4-methylphenyl)acetamide
CID 94814604
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide
CID 51126519
1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea
CID 95158318
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide
CID 94815352
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94813443
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]cyclohexanecarboxamide
CID 51094307
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796
N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
CID 800926
4-ethyl-N-[(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylethyl]benzamide
CID 54166199
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 113258694

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide?
The IUPAC name of 4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide (CID 95344832) is 4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide?
The canonical SMILES for 4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide is CCc1ccc(C(=O)NC[C@H](O)COCc2ccc(OC)cc2)cc1.
What is the InChIKey of 4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide?
The InChIKey is CQWIAICGFXHFQH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25NO4/c1-3-15-4-8-17(9-5-15)20(23)21-12-18(22)14-25-13-16-6-10-19(24-2)11-7-16/h4-11,18,22H,3,12-14H2,1-2H3,(H,21,23)/t18-/m0/s1.
What are the key properties of 4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide?
4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide has a molecular weight of 343.42 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide is sourced from PubChem (CID 95344832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).