N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide

C20H25NO2 — CID 99643562

IUPACN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H25NO2/c1-14-5-9-18(13-15(14)2)16(3)21-20(22)12-8-17-6-10-19(23-4)11-7-17/h5-7,9-11,13,16H,8,12H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyVENABCBLUWMVMR-MRXNPFEDSA-N
MW311.43 g/mol
LogP4.12
Rot. Bonds6

About N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 99643562) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID99643562
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H25NO2/c1-14-5-9-18(13-15(14)2)16(3)21-20(22)12-8-17-6-10-19(23-4)11-7-17/h5-7,9-11,13,16H,8,12H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyVENABCBLUWMVMR-MRXNPFEDSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxyphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 42563582
3-(4-methoxyphenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 31442688
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 17285343
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907978
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643736
1-(3,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43099095
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
3-(4-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51187923
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
3-(4-methoxy-3-methylphenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 133210929
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43895591

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide (CID 99643562) is N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is VENABCBLUWMVMR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-5-9-18(13-15(14)2)16(3)21-20(22)12-8-17-6-10-19(23-4)11-7-17/h5-7,9-11,13,16H,8,12H2,1-4H3,(H,21,22)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 99643562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).