N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane

C20H29NO — CID 91376275

IUPACN,2-dimethyl-N-(3-methylphenyl)benzamide;ethane
SMILESCC.CC.Cc1cccc(N(C)C(=O)c2ccccc2C)c1
InChIInChI=1S/C16H17NO.2C2H6/c1-12-7-6-9-14(11-12)17(3)16(18)15-10-5-4-8-13(15)2;2*1-2/h4-11H,1-3H3;2*1-2H3
InChIKeyAUZXUOYRLMVQRL-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.63
Rot. Bonds2

About N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane

N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane (PubChem CID 91376275) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane.

Molecular Properties

Compound NameN,2-dimethyl-N-(3-methylphenyl)benzamide;ethane
PubChem CID91376275
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC NameN,2-dimethyl-N-(3-methylphenyl)benzamide;ethane
SMILESCC.CC.Cc1cccc(N(C)C(=O)c2ccccc2C)c1
InChIInChI=1S/C16H17NO.2C2H6/c1-12-7-6-9-14(11-12)17(3)16(18)15-10-5-4-8-13(15)2;2*1-2/h4-11H,1-3H3;2*1-2H3
InChIKeyAUZXUOYRLMVQRL-UHFFFAOYSA-N
XLogP5.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-N-phenylbenzamide
CID 5222383
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CID 58207098
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CID 103892363
2,4-dibromo-N-methyl-N-(3-methylphenyl)benzamide
CID 107952311
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
CID 28766933
N,2-dimethyl-N-[2-[methyl-[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 118041352
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide
CID 110752792
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
N-(3-aminophenyl)-N,2,3-trimethylbenzamide
CID 61296941
N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558487
4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 62002180
N,2-dimethyl-N-(5-phenylthiophen-3-yl)benzamide
CID 67299056

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane?
The IUPAC name of N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane (CID 91376275) is N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane.
What is the SMILES notation for N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane?
The canonical SMILES for N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane is CC.CC.Cc1cccc(N(C)C(=O)c2ccccc2C)c1.
What is the InChIKey of N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane?
The InChIKey is AUZXUOYRLMVQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO.2C2H6/c1-12-7-6-9-14(11-12)17(3)16(18)15-10-5-4-8-13(15)2;2*1-2/h4-11H,1-3H3;2*1-2H3.
What are the key properties of N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane?
N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane has a molecular weight of 299.46 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane is sourced from PubChem (CID 91376275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).