N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide

C18H21NO2 — CID 134028542

IUPACN-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
SMILESCc1ccccc1CN(C)C(=O)C(C)Oc1ccccc1
InChIInChI=1S/C18H21NO2/c1-14-9-7-8-10-16(14)13-19(3)18(20)15(2)21-17-11-5-4-6-12-17/h4-12,15H,13H2,1-3H3
InChIKeyDJABPUZBQFHYTR-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.42
Rot. Bonds5

About N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide

N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide (PubChem CID 134028542) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
PubChem CID134028542
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
SMILESCc1ccccc1CN(C)C(=O)C(C)Oc1ccccc1
InChIInChI=1S/C18H21NO2/c1-14-9-7-8-10-16(14)13-19(3)18(20)15(2)21-17-11-5-4-6-12-17/h4-12,15H,13H2,1-3H3
InChIKeyDJABPUZBQFHYTR-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 43905077
2-butoxy-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 48652357
(2S)-2-(4-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 42093583
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-2-phenoxypropanamide
CID 55580788
(2R)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 93486431
(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 79011463
(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
CID 61154727
N-methyl-2-phenoxy-N-(2,2,2-trifluoroethyl)propanamide
CID 78864188
N-methyl-2-phenoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6463137
(2S)-N-methoxy-N-methyl-2-phenoxypropanamide
CID 95297395
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide
CID 28631292

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide (CID 134028542) is N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide is Cc1ccccc1CN(C)C(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide?
The InChIKey is DJABPUZBQFHYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14-9-7-8-10-16(14)13-19(3)18(20)15(2)21-17-11-5-4-6-12-17/h4-12,15H,13H2,1-3H3.
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide?
N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide has a molecular weight of 283.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 134028542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).