N-(3,3-dimethylbutyl)-4-phenylbenzamide

C19H23NO — CID 11044208

IUPACN-(3,3-dimethylbutyl)-4-phenylbenzamide
SMILESCC(C)(C)CCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-19(2,3)13-14-20-18(21)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,20,21)
InChIKeyKKIJCHVXXASCHI-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.52
Rot. Bonds4

About N-(3,3-dimethylbutyl)-4-phenylbenzamide

N-(3,3-dimethylbutyl)-4-phenylbenzamide (PubChem CID 11044208) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4-phenylbenzamide
PubChem CID11044208
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-(3,3-dimethylbutyl)-4-phenylbenzamide
SMILESCC(C)(C)CCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23NO/c1-19(2,3)13-14-20-18(21)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,20,21)
InChIKeyKKIJCHVXXASCHI-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4-phenylbenzamide?
The IUPAC name of N-(3,3-dimethylbutyl)-4-phenylbenzamide (CID 11044208) is N-(3,3-dimethylbutyl)-4-phenylbenzamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-4-phenylbenzamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-4-phenylbenzamide is CC(C)(C)CCNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(3,3-dimethylbutyl)-4-phenylbenzamide?
The InChIKey is KKIJCHVXXASCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(2,3)13-14-20-18(21)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,20,21).
What are the key properties of N-(3,3-dimethylbutyl)-4-phenylbenzamide?
N-(3,3-dimethylbutyl)-4-phenylbenzamide has a molecular weight of 281.40 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-4-phenylbenzamide is sourced from PubChem (CID 11044208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).