N,3-bis(2-methylpropyl)benzamide

C15H23NO — CID 176945198

IUPACN,3-bis(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CC(C)C)c1
InChIInChI=1S/C15H23NO/c1-11(2)8-13-6-5-7-14(9-13)15(17)16-10-12(3)4/h5-7,9,11-12H,8,10H2,1-4H3,(H,16,17)
InChIKeyWGDWQCMARYKMQB-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.27
Rot. Bonds5

About N,3-bis(2-methylpropyl)benzamide

N,3-bis(2-methylpropyl)benzamide (PubChem CID 176945198) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N,3-bis(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN,3-bis(2-methylpropyl)benzamide
PubChem CID176945198
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN,3-bis(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cccc(CC(C)C)c1
InChIInChI=1S/C15H23NO/c1-11(2)8-13-6-5-7-14(9-13)15(17)16-10-12(3)4/h5-7,9,11-12H,8,10H2,1-4H3,(H,16,17)
InChIKeyWGDWQCMARYKMQB-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-(2-methylpropyl)benzamide
CID 835315
carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide
CID 157229894
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
3-[[3-hydroxybutyl(methyl)amino]methyl]-N-(2-methylpropyl)benzamide
CID 111488384
3-(2-methylpropyl)benzamide
CID 23130390
N-(3-methylphenyl)-3-(2-methylpropyl)benzamide
CID 158758785
N-(2-methylpropyl)-3-(naphthalen-2-yloxymethyl)benzamide
CID 903861
1-N-(2-methylpropyl)-3-N-(2,4,4-trimethylpentyl)benzene-1,3-dicarboxamide
CID 177180681
3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 111123246
3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 3238106
1-N-(2-methylpropyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051265

Frequently Asked Questions

What is the IUPAC name of N,3-bis(2-methylpropyl)benzamide?
The IUPAC name of N,3-bis(2-methylpropyl)benzamide (CID 176945198) is N,3-bis(2-methylpropyl)benzamide.
What is the SMILES notation for N,3-bis(2-methylpropyl)benzamide?
The canonical SMILES for N,3-bis(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cccc(CC(C)C)c1.
What is the InChIKey of N,3-bis(2-methylpropyl)benzamide?
The InChIKey is WGDWQCMARYKMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)8-13-6-5-7-14(9-13)15(17)16-10-12(3)4/h5-7,9,11-12H,8,10H2,1-4H3,(H,16,17).
What are the key properties of N,3-bis(2-methylpropyl)benzamide?
N,3-bis(2-methylpropyl)benzamide has a molecular weight of 233.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(2-methylpropyl)benzamide is sourced from PubChem (CID 176945198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).