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

C20H25NO — CID 17327188

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NC(C)c1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C20H25NO/c1-5-18(17-9-7-6-8-10-17)20(22)21-16(4)19-13-14(2)11-12-15(19)3/h6-13,16,18H,5H2,1-4H3,(H,21,22)
InChIKeyRVWWWWXAPRFZGX-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.67
Rot. Bonds5

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

N-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide (PubChem CID 17327188) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide
PubChem CID17327188
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide
SMILESCCC(C(=O)NC(C)c1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C20H25NO/c1-5-18(17-9-7-6-8-10-17)20(22)21-16(4)19-13-14(2)11-12-15(19)3/h6-13,16,18H,5H2,1-4H3,(H,21,22)
InChIKeyRVWWWWXAPRFZGX-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 26171764
N-[1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 17327347
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 81363517
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 38016327
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 28632313
3-(2-phenylbutanoylamino)butanoic acid
CID 43240651
4-amino-5-[1-(2,5-dimethylphenyl)ethylamino]-5-oxopentanoic acid
CID 64887951
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 93487500
2-(2-chlorophenyl)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327434
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide
CID 28564545

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide (CID 17327188) is N-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide is CCC(C(=O)NC(C)c1cc(C)ccc1C)c1ccccc1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide?
The InChIKey is RVWWWWXAPRFZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-5-18(17-9-7-6-8-10-17)20(22)21-16(4)19-13-14(2)11-12-15(19)3/h6-13,16,18H,5H2,1-4H3,(H,21,22).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide has a molecular weight of 295.43 g/mol, XLogP of 4.67, 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]-2-phenylbutanamide is sourced from PubChem (CID 17327188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).