N,2-di(propan-2-yl)benzamide

C13H19NO — CID 14972595

IUPACN,2-di(propan-2-yl)benzamide
SMILESCC(C)NC(=O)c1ccccc1C(C)C
InChIInChI=1S/C13H19NO/c1-9(2)11-7-5-6-8-12(11)13(15)14-10(3)4/h5-10H,1-4H3,(H,14,15)
InChIKeyOHNKGNWQGAVTQG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.95
Rot. Bonds3

About N,2-di(propan-2-yl)benzamide

N,2-di(propan-2-yl)benzamide (PubChem CID 14972595) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N,2-di(propan-2-yl)benzamide.

Molecular Properties

Compound NameN,2-di(propan-2-yl)benzamide
PubChem CID14972595
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN,2-di(propan-2-yl)benzamide
SMILESCC(C)NC(=O)c1ccccc1C(C)C
InChIInChI=1S/C13H19NO/c1-9(2)11-7-5-6-8-12(11)13(15)14-10(3)4/h5-10H,1-4H3,(H,14,15)
InChIKeyOHNKGNWQGAVTQG-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-hydroxy-2-propan-2-ylbenzamide
CID 147875920
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
[(1S)-1-[(2-benzhydrylbenzoyl)amino]ethyl]boronic acid
CID 53326811
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
2-hydroxy-1-N-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 153307876
1-N-[4-(aminomethyl)phenyl]-2-N-propan-2-ylbenzene-1,2-dicarboxamide
CID 67175982
1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
CID 786717
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
2-(benzylamino)-N-propan-2-ylbenzamide
CID 110486900
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107

Frequently Asked Questions

What is the IUPAC name of N,2-di(propan-2-yl)benzamide?
The IUPAC name of N,2-di(propan-2-yl)benzamide (CID 14972595) is N,2-di(propan-2-yl)benzamide.
What is the SMILES notation for N,2-di(propan-2-yl)benzamide?
The canonical SMILES for N,2-di(propan-2-yl)benzamide is CC(C)NC(=O)c1ccccc1C(C)C.
What is the InChIKey of N,2-di(propan-2-yl)benzamide?
The InChIKey is OHNKGNWQGAVTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)11-7-5-6-8-12(11)13(15)14-10(3)4/h5-10H,1-4H3,(H,14,15).
What are the key properties of N,2-di(propan-2-yl)benzamide?
N,2-di(propan-2-yl)benzamide has a molecular weight of 205.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-di(propan-2-yl)benzamide is sourced from PubChem (CID 14972595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).