N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide

C24H25NO4 — CID 24677632

IUPACN-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(COc3ccccc3)cc2)c1OC
InChIInChI=1S/C24H25NO4/c1-25(16-20-8-7-11-22(27-2)23(20)28-3)24(26)19-14-12-18(13-15-19)17-29-21-9-5-4-6-10-21/h4-15H,16-17H2,1-3H3
InChIKeyAPHPGZAQSCJQEG-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.55
Rot. Bonds8

About N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide

N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide (PubChem CID 24677632) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide
PubChem CID24677632
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(COc3ccccc3)cc2)c1OC
InChIInChI=1S/C24H25NO4/c1-25(16-20-8-7-11-22(27-2)23(20)28-3)24(26)19-14-12-18(13-15-19)17-29-21-9-5-4-6-10-21/h4-15H,16-17H2,1-3H3
InChIKeyAPHPGZAQSCJQEG-UHFFFAOYSA-N
XLogP4.55
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
N-[(2,3-dimethoxyphenyl)methyl]-4-(1,3-dithian-2-yl)-N-methylbenzamide
CID 18112066
N-(furan-2-ylmethyl)-N-methyl-4-(phenoxymethyl)benzamide
CID 112761039
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7432025
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18131988
N-[(2-fluorophenyl)methyl]-N-methyl-3-phenylmethoxybenzamide
CID 30253357
N-[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 9166749
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 2525601
N,4-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 17399115

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide (CID 24677632) is N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide is COc1cccc(CN(C)C(=O)c2ccc(COc3ccccc3)cc2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide?
The InChIKey is APHPGZAQSCJQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-25(16-20-8-7-11-22(27-2)23(20)28-3)24(26)19-14-12-18(13-15-19)17-29-21-9-5-4-6-10-21/h4-15H,16-17H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide?
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 24677632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).