2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide

C19H23NO — CID 4779664

IUPAC2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1ccc(C)c(C(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-14-9-10-15(2)18(13-14)19(21)20-16(3)11-12-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21)
InChIKeyPLDBOUKBBXBLEB-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.05
Rot. Bonds5

About 2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide

2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 4779664) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide
PubChem CID4779664
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1ccc(C)c(C(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C19H23NO/c1-14-9-10-15(2)18(13-14)19(21)20-16(3)11-12-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21)
InChIKeyPLDBOUKBBXBLEB-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide (CID 4779664) is 2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide is Cc1ccc(C)c(C(=O)NC(C)CCc2ccccc2)c1.
What is the InChIKey of 2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is PLDBOUKBBXBLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-9-10-15(2)18(13-14)19(21)20-16(3)11-12-17-7-5-4-6-8-17/h4-10,13,16H,11-12H2,1-3H3,(H,20,21).
What are the key properties of 2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide?
2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 281.40 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 4779664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).