N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide

C18H21NO4 — CID 56765275

IUPACN-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(O)Cc2ccccc2)c1
InChIInChI=1S/C18H21NO4/c1-22-16-9-14(10-17(11-16)23-2)18(21)19-12-15(20)8-13-6-4-3-5-7-13/h3-7,9-11,15,20H,8,12H2,1-2H3,(H,19,21)
InChIKeyDQRGGXTXXGCZJA-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.04
Rot. Bonds7

About N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide

N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide (PubChem CID 56765275) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide
PubChem CID56765275
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(O)Cc2ccccc2)c1
InChIInChI=1S/C18H21NO4/c1-22-16-9-14(10-17(11-16)23-2)18(21)19-12-15(20)8-13-6-4-3-5-7-13/h3-7,9-11,15,20H,8,12H2,1-2H3,(H,19,21)
InChIKeyDQRGGXTXXGCZJA-UHFFFAOYSA-N
XLogP2.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-2-(3-methoxyphenyl)acetamide
CID 90534339
N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide
CID 111102702
3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide
CID 86264345
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141
3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167276
(E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111911976
N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)propanamide
CID 111102377
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55350130
3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765259
3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide
CID 102377978
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide (CID 56765275) is N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC(O)Cc2ccccc2)c1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide?
The InChIKey is DQRGGXTXXGCZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-22-16-9-14(10-17(11-16)23-2)18(21)19-12-15(20)8-13-6-4-3-5-7-13/h3-7,9-11,15,20H,8,12H2,1-2H3,(H,19,21).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide?
N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide has a molecular weight of 315.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 56765275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).