N-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide

C21H27NO3 — CID 56502236

IUPACN-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide
SMILESCCOc1cc(C(=O)N(c2cc(C)ccc2C)C(C)C)ccc1OC
InChIInChI=1S/C21H27NO3/c1-7-25-20-13-17(10-11-19(20)24-6)21(23)22(14(2)3)18-12-15(4)8-9-16(18)5/h8-14H,7H2,1-6H3
InChIKeyZUFPHKNHBPGGON-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.77
Rot. Bonds6

About N-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide

N-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide (PubChem CID 56502236) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide
PubChem CID56502236
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide
SMILESCCOc1cc(C(=O)N(c2cc(C)ccc2C)C(C)C)ccc1OC
InChIInChI=1S/C21H27NO3/c1-7-25-20-13-17(10-11-19(20)24-6)21(23)22(14(2)3)18-12-15(4)8-9-16(18)5/h8-14H,7H2,1-6H3
InChIKeyZUFPHKNHBPGGON-UHFFFAOYSA-N
XLogP4.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 46590873
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028026
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide
CID 43573393
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-ethoxy-N,3-dimethylbenzamide
CID 86938006
3-ethoxy-4-methoxybenzoate
CID 7020473
ethyl 2-(3-ethoxy-4-methoxyphenyl)-2-oxoacetate
CID 91657232
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
N-(1-aminopropan-2-yl)-4-ethoxy-3-methoxy-N-methylbenzamide;hydrochloride
CID 119582790
1-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]ethanone
CID 83952506
N-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide
CID 56501711

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide (CID 56502236) is N-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide is CCOc1cc(C(=O)N(c2cc(C)ccc2C)C(C)C)ccc1OC.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide?
The InChIKey is ZUFPHKNHBPGGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-7-25-20-13-17(10-11-19(20)24-6)21(23)22(14(2)3)18-12-15(4)8-9-16(18)5/h8-14H,7H2,1-6H3.
What are the key properties of N-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide?
N-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide has a molecular weight of 341.45 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-ethoxy-4-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 56502236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).