N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide

C19H23NO — CID 17327195

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
SMILESCc1ccc(C)c(C(C)NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-14-9-10-15(2)18(13-14)16(3)20-19(21)12-11-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21)
InChIKeyFYWZQSDWRYCGMB-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.11
Rot. Bonds5

About N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide

N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide (PubChem CID 17327195) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
PubChem CID17327195
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
SMILESCc1ccc(C)c(C(C)NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-14-9-10-15(2)18(13-14)16(3)20-19(21)12-11-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21)
InChIKeyFYWZQSDWRYCGMB-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 17285343
3-(2,6-dichlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 133225019
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
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-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 100589534
2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 100526389
N-[1-(2,5-difluorophenyl)ethyl]-3-phenylpropanamide
CID 46591216
3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 115341658
N-[1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 43009880

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide (CID 17327195) is N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide is Cc1ccc(C)c(C(C)NC(=O)CCc2ccccc2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide?
The InChIKey is FYWZQSDWRYCGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-9-10-15(2)18(13-14)16(3)20-19(21)12-11-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide?
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide has a molecular weight of 281.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 17327195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).