N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide

C20H24N2O3 — CID 46424518

IUPACN,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide
SMILESCc1ccc(OC(C)C(=O)NCc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-14-8-10-18(11-9-14)25-15(2)19(23)21-13-16-6-5-7-17(12-16)20(24)22(3)4/h5-12,15H,13H2,1-4H3,(H,21,23)
InChIKeyUJXHVIOKQRBRLW-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.78
Rot. Bonds6

About N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide

N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide (PubChem CID 46424518) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide
PubChem CID46424518
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide
SMILESCc1ccc(OC(C)C(=O)NCc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-14-8-10-18(11-9-14)25-15(2)19(23)21-13-16-6-5-7-17(12-16)20(24)22(3)4/h5-12,15H,13H2,1-4H3,(H,21,23)
InChIKeyUJXHVIOKQRBRLW-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-2-(4-methylphenoxy)propanamide
CID 75871684
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide
CID 51947210
4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46632597
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
3-[[2-(3,4-dichlorophenoxy)propanoylamino]methyl]-N-methylbenzamide
CID 55795951

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide (CID 46424518) is N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide is Cc1ccc(OC(C)C(=O)NCc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide?
The InChIKey is UJXHVIOKQRBRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-8-10-18(11-9-14)25-15(2)19(23)21-13-16-6-5-7-17(12-16)20(24)22(3)4/h5-12,15H,13H2,1-4H3,(H,21,23).
What are the key properties of N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide?
N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-(4-methylphenoxy)propanoylamino]methyl]benzamide is sourced from PubChem (CID 46424518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).