4-tert-butyl-N-(1-phenylethyl)benzamide

C19H23NO — CID 4309159

IUPAC4-tert-butyl-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-14(15-8-6-5-7-9-15)20-18(21)16-10-12-17(13-11-16)19(2,3)4/h5-14H,1-4H3,(H,20,21)
InChIKeyCRGCOLKLQRSHFY-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.48
Rot. Bonds3

About 4-tert-butyl-N-(1-phenylethyl)benzamide

4-tert-butyl-N-(1-phenylethyl)benzamide (PubChem CID 4309159) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1-phenylethyl)benzamide
PubChem CID4309159
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-tert-butyl-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-14(15-8-6-5-7-9-15)20-18(21)16-10-12-17(13-11-16)19(2,3)4/h5-14H,1-4H3,(H,20,21)
InChIKeyCRGCOLKLQRSHFY-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(1-phenylethyl)benzamide (CID 4309159) is 4-tert-butyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-tert-butyl-N-(1-phenylethyl)benzamide?
The InChIKey is CRGCOLKLQRSHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14(15-8-6-5-7-9-15)20-18(21)16-10-12-17(13-11-16)19(2,3)4/h5-14H,1-4H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-(1-phenylethyl)benzamide?
4-tert-butyl-N-(1-phenylethyl)benzamide has a molecular weight of 281.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 4309159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).