N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide

C19H23NO6 — CID 13286134

IUPACN-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(CO)Cc2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C19H23NO6/c1-24-16-9-13(10-17(25-2)18(16)26-3)19(23)20-14(11-21)8-12-4-6-15(22)7-5-12/h4-7,9-10,14,21-22H,8,11H2,1-3H3,(H,20,23)
InChIKeyADXKSKNKPFDIIK-UHFFFAOYSA-N
MW361.39 g/mol
LogP1.75
Rot. Bonds8

About N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide

N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 13286134) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID13286134
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC NameN-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(CO)Cc2ccc(O)cc2)cc(OC)c1OC
InChIInChI=1S/C19H23NO6/c1-24-16-9-13(10-17(25-2)18(16)26-3)19(23)20-14(11-21)8-12-4-6-15(22)7-5-12/h4-7,9-10,14,21-22H,8,11H2,1-3H3,(H,20,23)
InChIKeyADXKSKNKPFDIIK-UHFFFAOYSA-N
XLogP1.75
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]-4,5-dimethoxybenzamide
CID 93041589
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide
CID 10232205
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
methyl (2S)-2-[[3,5-bis[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 139041889
3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
CID 65315023
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695
N-(1-hydroxy-4-methylpentan-2-yl)-3,5-dimethoxy-4-methylbenzamide
CID 61246474
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
N-(4-bromobutan-2-yl)-3,4,5-trimethoxybenzamide
CID 83178838

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide (CID 13286134) is N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC(CO)Cc2ccc(O)cc2)cc(OC)c1OC.
What is the InChIKey of N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is ADXKSKNKPFDIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-24-16-9-13(10-17(25-2)18(16)26-3)19(23)20-14(11-21)8-12-4-6-15(22)7-5-12/h4-7,9-10,14,21-22H,8,11H2,1-3H3,(H,20,23).
What are the key properties of N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide?
N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 361.39 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 13286134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).