N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide

C19H24N2O3 — CID 111112630

IUPACN-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CNC(C)(C)CO)c2)cc1
InChIInChI=1S/C19H24N2O3/c1-19(2,13-22)20-12-14-5-4-6-16(11-14)21-18(23)15-7-9-17(24-3)10-8-15/h4-11,20,22H,12-13H2,1-3H3,(H,21,23)
InChIKeyOBJZNJFHHIRZEH-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.81
Rot. Bonds7

About N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide

N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide (PubChem CID 111112630) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide
PubChem CID111112630
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CNC(C)(C)CO)c2)cc1
InChIInChI=1S/C19H24N2O3/c1-19(2,13-22)20-12-14-5-4-6-16(11-14)21-18(23)15-7-9-17(24-3)10-8-15/h4-11,20,22H,12-13H2,1-3H3,(H,21,23)
InChIKeyOBJZNJFHHIRZEH-UHFFFAOYSA-N
XLogP2.81
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide
CID 111448623
N-[3-[(1-hydroxypentan-3-ylamino)methyl]phenyl]-4-methoxybenzamide
CID 111449202
2-[[[3-[(4-methoxybenzoyl)amino]phenyl]methylamino]methyl]-4-methylpentanoic acid
CID 122072946
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
4-tert-butyl-N-[3-[3-(4-methoxyphenyl)propanoylamino]phenyl]benzamide
CID 100591859
4-ethoxy-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601985
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
N-[3-[[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]methyl]phenyl]-4-methoxybenzamide
CID 126838073
(3-chlorophenyl)methyl 3-[(4-methoxybenzoyl)amino]benzoate
CID 1305098
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide (CID 111112630) is N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(CNC(C)(C)CO)c2)cc1.
What is the InChIKey of N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide?
The InChIKey is OBJZNJFHHIRZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,13-22)20-12-14-5-4-6-16(11-14)21-18(23)15-7-9-17(24-3)10-8-15/h4-11,20,22H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide?
N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide has a molecular weight of 328.41 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 111112630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).