N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide

C20H26N2O3 — CID 111448623

IUPACN-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CNC(C)C(C)CO)c2)cc1
InChIInChI=1S/C20H26N2O3/c1-14(13-23)15(2)21-12-16-5-4-6-18(11-16)22-20(24)17-7-9-19(25-3)10-8-17/h4-11,14-15,21,23H,12-13H2,1-3H3,(H,22,24)
InChIKeyKJTFSZUZPPVWAC-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.05
Rot. Bonds8

About N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide

N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide (PubChem CID 111448623) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide
PubChem CID111448623
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CNC(C)C(C)CO)c2)cc1
InChIInChI=1S/C20H26N2O3/c1-14(13-23)15(2)21-12-16-5-4-6-18(11-16)22-20(24)17-7-9-19(25-3)10-8-17/h4-11,14-15,21,23H,12-13H2,1-3H3,(H,22,24)
InChIKeyKJTFSZUZPPVWAC-UHFFFAOYSA-N
XLogP3.05
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide
CID 111449202
N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide
CID 111112630
2-[[[3-[(4-methoxybenzoyl)amino]phenyl]methylamino]methyl]-4-methylpentanoic acid
CID 122072946
4-methoxy-N-[3-[[[(1R)-1-[(2R)-oxolan-2-yl]prop-2-ynyl]amino]methyl]phenyl]benzamide
CID 124726803
N-[3-[[2-(4-methoxyphenyl)sulfanylpropanoylamino]methyl]phenyl]pyridine-4-carboxamide
CID 55904243
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601985
N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide
CID 126838073
4-methoxy-N-[3-[2-[1-phenylethyl(propyl)amino]propyl]phenyl]benzamide
CID 18353135
N-(4-methoxyphenyl)-4-[[2-oxo-2-(3-propan-2-ylanilino)ethyl]amino]benzamide
CID 30538923
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide (CID 111448623) is N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(CNC(C)C(C)CO)c2)cc1.
What is the InChIKey of N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide?
The InChIKey is KJTFSZUZPPVWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(13-23)15(2)21-12-16-5-4-6-18(11-16)22-20(24)17-7-9-19(25-3)10-8-17/h4-11,14-15,21,23H,12-13H2,1-3H3,(H,22,24).
What are the key properties of N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide?
N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide has a molecular weight of 342.44 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 111448623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).