N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide

C18H21NO2 — CID 2473869

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H21NO2/c1-12-9-10-13(2)16(11-12)18(20)19-14(3)15-7-5-6-8-17(15)21-4/h5-11,14H,1-4H3,(H,19,20)/t14-/m0/s1
InChIKeyDDHUQGFDXQTTIC-AWEZNQCLSA-N
MW283.37 g/mol
LogP3.80
Rot. Bonds4

About N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide

N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide (PubChem CID 2473869) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
PubChem CID2473869
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
SMILESCOc1ccccc1[C@H](C)NC(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H21NO2/c1-12-9-10-13(2)16(11-12)18(20)19-14(3)15-7-5-6-8-17(15)21-4/h5-11,14H,1-4H3,(H,19,20)/t14-/m0/s1
InChIKeyDDHUQGFDXQTTIC-AWEZNQCLSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133162576
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 92646642
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 16549124
5-(cyclopropylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-2-methylbenzamide
CID 18131994
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 18200468
2-(2,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133251795
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide (CID 2473869) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide is COc1ccccc1[C@H](C)NC(=O)c1cc(C)ccc1C.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide?
The InChIKey is DDHUQGFDXQTTIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12-9-10-13(2)16(11-12)18(20)19-14(3)15-7-5-6-8-17(15)21-4/h5-11,14H,1-4H3,(H,19,20)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 2473869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).