N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide

C20H25NO — CID 93239788

IUPACN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO/c1-14-6-9-18(10-7-14)11-12-20(22)21-17(4)19-13-15(2)5-8-16(19)3/h5-10,13,17H,11-12H2,1-4H3,(H,21,22)/t17-/m0/s1
InChIKeyHSELDMZKQWFKNB-KRWDZBQOSA-N
MW295.43 g/mol
LogP4.42
Rot. Bonds5

About N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 93239788) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
PubChem CID93239788
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO/c1-14-6-9-18(10-7-14)11-12-20(22)21-17(4)19-13-15(2)5-8-16(19)3/h5-10,13,17H,11-12H2,1-4H3,(H,21,22)/t17-/m0/s1
InChIKeyHSELDMZKQWFKNB-KRWDZBQOSA-N
XLogP4.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 17285343
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 38005769
3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 93239790
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 100589534
3-(4-tert-butylphenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94027139
3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 133225019
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 99130631
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 53278970
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643736

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide (CID 93239788) is N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)N[C@@H](C)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is HSELDMZKQWFKNB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25NO/c1-14-6-9-18(10-7-14)11-12-20(22)21-17(4)19-13-15(2)5-8-16(19)3/h5-10,13,17H,11-12H2,1-4H3,(H,21,22)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide?
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 295.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 93239788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).