N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide

C17H27NO3 — CID 134212806

IUPACN-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide
SMILESCOc1cc(OC)c(C(C)C)cc1C(=O)NCC(C)(C)C
InChIInChI=1S/C17H27NO3/c1-11(2)12-8-13(15(21-7)9-14(12)20-6)16(19)18-10-17(3,4)5/h8-9,11H,10H2,1-7H3,(H,18,19)
InChIKeyGKLZOILFOFPBAV-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.60
Rot. Bonds5

About N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide

N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide (PubChem CID 134212806) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide
PubChem CID134212806
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide
SMILESCOc1cc(OC)c(C(C)C)cc1C(=O)NCC(C)(C)C
InChIInChI=1S/C17H27NO3/c1-11(2)12-8-13(15(21-7)9-14(12)20-6)16(19)18-10-17(3,4)5/h8-9,11H,10H2,1-7H3,(H,18,19)
InChIKeyGKLZOILFOFPBAV-UHFFFAOYSA-N
XLogP3.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
CID 83405819
N-(2-tert-butylsulfanylethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100713562
N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 110761820
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
N-(4-chloro-2-methylbutyl)-2,4,5-trimethoxybenzamide
CID 114306196
4-bromo-2-methoxy-N-(2,2,3-trimethylbutyl)benzamide
CID 114100346
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918708
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
CID 68974432
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate
CID 119789400
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
2,4-dimethoxy-N-(1-methylindol-5-yl)-5-propan-2-ylbenzamide;molecular hydrogen
CID 143589369

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide (CID 134212806) is N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide is COc1cc(OC)c(C(C)C)cc1C(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide?
The InChIKey is GKLZOILFOFPBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-11(2)12-8-13(15(21-7)9-14(12)20-6)16(19)18-10-17(3,4)5/h8-9,11H,10H2,1-7H3,(H,18,19).
What are the key properties of N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide?
N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide has a molecular weight of 293.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2,4-dimethoxy-5-propan-2-ylbenzamide is sourced from PubChem (CID 134212806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).