N-(2,6-dimethylphenyl)-3-phenylbutanamide

C18H21NO — CID 2854273

IUPACN-(2,6-dimethylphenyl)-3-phenylbutanamide
SMILESCc1cccc(C)c1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C18H21NO/c1-13-8-7-9-14(2)18(13)19-17(20)12-15(3)16-10-5-4-6-11-16/h4-11,15H,12H2,1-3H3,(H,19,20)
InChIKeyIPUYUFGCOCCKKX-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.44
Rot. Bonds4

About N-(2,6-dimethylphenyl)-3-phenylbutanamide

N-(2,6-dimethylphenyl)-3-phenylbutanamide (PubChem CID 2854273) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-phenylbutanamide
PubChem CID2854273
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-(2,6-dimethylphenyl)-3-phenylbutanamide
SMILESCc1cccc(C)c1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C18H21NO/c1-13-8-7-9-14(2)18(13)19-17(20)12-15(3)16-10-5-4-6-11-16/h4-11,15H,12H2,1-3H3,(H,19,20)
InChIKeyIPUYUFGCOCCKKX-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-phenylbutanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-phenylbutanamide (CID 2854273) is N-(2,6-dimethylphenyl)-3-phenylbutanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-phenylbutanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-phenylbutanamide is Cc1cccc(C)c1NC(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-phenylbutanamide?
The InChIKey is IPUYUFGCOCCKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-8-7-9-14(2)18(13)19-17(20)12-15(3)16-10-5-4-6-11-16/h4-11,15H,12H2,1-3H3,(H,19,20).
What are the key properties of N-(2,6-dimethylphenyl)-3-phenylbutanamide?
N-(2,6-dimethylphenyl)-3-phenylbutanamide has a molecular weight of 267.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-phenylbutanamide is sourced from PubChem (CID 2854273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).