N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide

C20H25NO2 — CID 99643736

IUPACN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1
InChIInChI=1S/C20H25NO2/c1-14-5-11-19(15(2)13-14)16(3)21-20(22)12-8-17-6-9-18(23-4)10-7-17/h5-7,9-11,13,16H,8,12H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyMOKSNUBXSJMQIH-MRXNPFEDSA-N
MW311.43 g/mol
LogP4.12
Rot. Bonds6

About N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 99643736) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID99643736
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1
InChIInChI=1S/C20H25NO2/c1-14-5-11-19(15(2)13-14)16(3)21-20(22)12-8-17-6-9-18(23-4)10-7-17/h5-7,9-11,13,16H,8,12H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyMOKSNUBXSJMQIH-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

N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 17285343
3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 100589534
N-[1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 43909491
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 93487568
3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94027139
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643562
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 99132998
3-(4-methoxyphenyl)-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 51187923
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 1225838
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide (CID 99643736) is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)N[C@H](C)c2ccc(C)cc2C)cc1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is MOKSNUBXSJMQIH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-5-11-19(15(2)13-14)16(3)21-20(22)12-8-17-6-9-18(23-4)10-7-17/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-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
N-[(1R)-1-(2,4-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-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 99643736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).