3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide

C23H32N2O3 — CID 55695089

IUPAC3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCc2ccccc2CN(C)C(C)C)ccc1OC(C)C
InChIInChI=1S/C23H32N2O3/c1-16(2)25(5)15-20-10-8-7-9-19(20)14-24-23(26)18-11-12-21(28-17(3)4)22(13-18)27-6/h7-13,16-17H,14-15H2,1-6H3,(H,24,26)
InChIKeyNURGBRZSYSWNBR-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.25
Rot. Bonds9

About 3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide

3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide (PubChem CID 55695089) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
PubChem CID55695089
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCc2ccccc2CN(C)C(C)C)ccc1OC(C)C
InChIInChI=1S/C23H32N2O3/c1-16(2)25(5)15-20-10-8-7-9-19(20)14-24-23(26)18-11-12-21(28-17(3)4)22(13-18)27-6/h7-13,16-17H,14-15H2,1-6H3,(H,24,26)
InChIKeyNURGBRZSYSWNBR-UHFFFAOYSA-N
XLogP4.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propoxybenzamide
CID 46456160
3-chloro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46470339
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
4-[(2-chlorophenyl)methoxy]-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methoxybenzamide
CID 55395887
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 112790335
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
CID 110782122
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 55694833
2-benzyl-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 119233654
4-(difluoromethylsulfonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55694979
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987
3-bromo-5-fluoro-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 46474128

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide (CID 55695089) is 3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide is COc1cc(C(=O)NCc2ccccc2CN(C)C(C)C)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide?
The InChIKey is NURGBRZSYSWNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-16(2)25(5)15-20-10-8-7-9-19(20)14-24-23(26)18-11-12-21(28-17(3)4)22(13-18)27-6/h7-13,16-17H,14-15H2,1-6H3,(H,24,26).
What are the key properties of 3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide?
3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide has a molecular weight of 384.52 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 55695089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).