N,N-diethyl-2-methoxy-3-methylbenzamide

C13H19NO2 — CID 12902424

IUPACN,N-diethyl-2-methoxy-3-methylbenzamide
SMILESCCN(CC)C(=O)c1cccc(C)c1OC
InChIInChI=1S/C13H19NO2/c1-5-14(6-2)13(15)11-9-7-8-10(3)12(11)16-4/h7-9H,5-6H2,1-4H3
InChIKeyNEQHFCZRLZLUCY-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.49
Rot. Bonds4

About N,N-diethyl-2-methoxy-3-methylbenzamide

N,N-diethyl-2-methoxy-3-methylbenzamide (PubChem CID 12902424) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N,N-diethyl-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-2-methoxy-3-methylbenzamide
PubChem CID12902424
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN,N-diethyl-2-methoxy-3-methylbenzamide
SMILESCCN(CC)C(=O)c1cccc(C)c1OC
InChIInChI=1S/C13H19NO2/c1-5-14(6-2)13(15)11-9-7-8-10(3)12(11)16-4/h7-9H,5-6H2,1-4H3
InChIKeyNEQHFCZRLZLUCY-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
N,N-diethyl-3-methoxy-2-(2-methylphenyl)benzamide
CID 14174929
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 86835516
2-acetyl-N,N-diethyl-3-methoxybenzamide
CID 19802545
N,N-diethyl-2-(N,2,3-trimethylanilino)benzamide
CID 25179558
ethyl 2-(2-methoxy-3-methylphenyl)-2-oxoacetate
CID 117317826
5-chloro-N,N-diethylnaphthalene-1-carboxamide
CID 50850160
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide
CID 78789446
N,N-diethyl-3-methyl-2-nitrobenzamide
CID 2186690
N-(3-chloropropyl)-N-ethyl-2,3-dimethoxybenzamide
CID 113469120
carbonic acid;2-methoxy-3-methylbenzoic acid
CID 69114521
CID 175079027
CID 175079027

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methoxy-3-methylbenzamide?
The IUPAC name of N,N-diethyl-2-methoxy-3-methylbenzamide (CID 12902424) is N,N-diethyl-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N,N-diethyl-2-methoxy-3-methylbenzamide?
The canonical SMILES for N,N-diethyl-2-methoxy-3-methylbenzamide is CCN(CC)C(=O)c1cccc(C)c1OC.
What is the InChIKey of N,N-diethyl-2-methoxy-3-methylbenzamide?
The InChIKey is NEQHFCZRLZLUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-14(6-2)13(15)11-9-7-8-10(3)12(11)16-4/h7-9H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2-methoxy-3-methylbenzamide?
N,N-diethyl-2-methoxy-3-methylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 12902424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).