N,2-dimethyl-N-pentan-2-ylbenzamide

C14H21NO — CID 71253300

IUPACN,2-dimethyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)N(C)C(=O)c1ccccc1C
InChIInChI=1S/C14H21NO/c1-5-8-12(3)15(4)14(16)13-10-7-6-9-11(13)2/h6-7,9-10,12H,5,8H2,1-4H3
InChIKeyJPRKMXIUXVORIW-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.26
Rot. Bonds4

About N,2-dimethyl-N-pentan-2-ylbenzamide

N,2-dimethyl-N-pentan-2-ylbenzamide (PubChem CID 71253300) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N,2-dimethyl-N-pentan-2-ylbenzamide.

Molecular Properties

Compound NameN,2-dimethyl-N-pentan-2-ylbenzamide
PubChem CID71253300
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN,2-dimethyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)N(C)C(=O)c1ccccc1C
InChIInChI=1S/C14H21NO/c1-5-8-12(3)15(4)14(16)13-10-7-6-9-11(13)2/h6-7,9-10,12H,5,8H2,1-4H3
InChIKeyJPRKMXIUXVORIW-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 43430193
N-(4-amino-4-sulfanylidenebutan-2-yl)-N,2-dimethylbenzamide
CID 55174721
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
3-bromo-2-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103988617
2-(3-aminoprop-1-ynyl)-N-methyl-N-pentan-2-ylbenzamide
CID 60821942
N,2-dimethyl-N-propylbenzamide;ethane
CID 142246396
2-fluoro-N,3-dimethyl-N-(4-methylpentan-2-yl)benzamide
CID 80718791
2-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-2-ylbenzamide
CID 60817182
3-[4-methyl-3-[methyl(pentan-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 77064799
1-chloro-N-methyl-N-pentan-2-ylisoquinoline-4-carboxamide
CID 106765971
N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
CID 115737352
N-(1-bromopropan-2-yl)-N,2,3-trimethylbenzamide
CID 104556144

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-pentan-2-ylbenzamide?
The IUPAC name of N,2-dimethyl-N-pentan-2-ylbenzamide (CID 71253300) is N,2-dimethyl-N-pentan-2-ylbenzamide.
What is the SMILES notation for N,2-dimethyl-N-pentan-2-ylbenzamide?
The canonical SMILES for N,2-dimethyl-N-pentan-2-ylbenzamide is CCCC(C)N(C)C(=O)c1ccccc1C.
What is the InChIKey of N,2-dimethyl-N-pentan-2-ylbenzamide?
The InChIKey is JPRKMXIUXVORIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-8-12(3)15(4)14(16)13-10-7-6-9-11(13)2/h6-7,9-10,12H,5,8H2,1-4H3.
What are the key properties of N,2-dimethyl-N-pentan-2-ylbenzamide?
N,2-dimethyl-N-pentan-2-ylbenzamide has a molecular weight of 219.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-pentan-2-ylbenzamide is sourced from PubChem (CID 71253300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).