N,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide

C20H25NO3 — CID 10245892

IUPACN,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(OC)cc1C(O)c1cccc(C)c1
InChIInChI=1S/C20H25NO3/c1-5-21(6-2)20(23)17-11-10-16(24-4)13-18(17)19(22)15-9-7-8-14(3)12-15/h7-13,19,22H,5-6H2,1-4H3
InChIKeyHYSTTYQFMODKSL-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.57
Rot. Bonds6

About N,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide

N,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide (PubChem CID 10245892) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide
PubChem CID10245892
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(OC)cc1C(O)c1cccc(C)c1
InChIInChI=1S/C20H25NO3/c1-5-21(6-2)20(23)17-11-10-16(24-4)13-18(17)19(22)15-9-7-8-14(3)12-15/h7-13,19,22H,5-6H2,1-4H3
InChIKeyHYSTTYQFMODKSL-UHFFFAOYSA-N
XLogP3.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethoxyphenyl)-(3-methylphenyl)methanol
CID 61099011
N,N-diethyl-2-[(S)-hydroxy(phenyl)methyl]benzamide
CID 129385502
2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide
CID 135053285
[2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium
CID 134891251
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 55591908
(2-ethylphenyl)-(3-methoxyphenyl)methanol
CID 63900317
N,N-diethyl-5-methoxy-2-(4-methoxy-2-methylsulfanylphenyl)benzamide
CID 170746251
2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide
CID 60741091
N,N-diethyl-2-methoxy-3-methylbenzamide
CID 12902424
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
3-amino-2-(4-methoxyphenyl)-1-(3-methylphenyl)propan-1-ol
CID 65185753
2-amino-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 115412767

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide?
The IUPAC name of N,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide (CID 10245892) is N,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide?
The canonical SMILES for N,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide is CCN(CC)C(=O)c1ccc(OC)cc1C(O)c1cccc(C)c1.
What is the InChIKey of N,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide?
The InChIKey is HYSTTYQFMODKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-21(6-2)20(23)17-11-10-16(24-4)13-18(17)19(22)15-9-7-8-14(3)12-15/h7-13,19,22H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide?
N,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide has a molecular weight of 327.42 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[hydroxy-(3-methylphenyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 10245892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).