N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide

C21H25NO4 — CID 43044155

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H25NO4/c1-22(14-17-7-3-4-11-20(17)24-2)21(23)16-8-5-9-18(13-16)26-15-19-10-6-12-25-19/h3-5,7-9,11,13,19H,6,10,12,14-15H2,1-2H3
InChIKeyUJWULDDVLOBUEA-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.53
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide

N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 43044155) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID43044155
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H25NO4/c1-22(14-17-7-3-4-11-20(17)24-2)21(23)16-8-5-9-18(13-16)26-15-19-10-6-12-25-19/h3-5,7-9,11,13,19H,6,10,12,14-15H2,1-2H3
InChIKeyUJWULDDVLOBUEA-UHFFFAOYSA-N
XLogP3.53
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)-2-oxoethoxy]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55770594
N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
CID 134026942
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
3-iodo-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 55967993
N-[[4-(dimethylamino)phenyl]methyl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)benzamide
CID 78840852
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
CID 42939871
3-(3-chlorophenoxy)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968778
N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 30798336
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044138
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
5-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]-1,3-diazinane-2,4,6-trione
CID 98449523

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide (CID 43044155) is N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide is COc1ccccc1CN(C)C(=O)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is UJWULDDVLOBUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-22(14-17-7-3-4-11-20(17)24-2)21(23)16-8-5-9-18(13-16)26-15-19-10-6-12-25-19/h3-5,7-9,11,13,19H,6,10,12,14-15H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 355.43 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 43044155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).