N,N-diethyl-3,5-dimethoxy-2-methylbenzamide

C14H21NO3 — CID 12637452

IUPACN,N-diethyl-3,5-dimethoxy-2-methylbenzamide
SMILESCCN(CC)C(=O)c1cc(OC)cc(OC)c1C
InChIInChI=1S/C14H21NO3/c1-6-15(7-2)14(16)12-8-11(17-4)9-13(18-5)10(12)3/h8-9H,6-7H2,1-5H3
InChIKeyOHPCXNIHPPGEGZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.49
Rot. Bonds5

About N,N-diethyl-3,5-dimethoxy-2-methylbenzamide

N,N-diethyl-3,5-dimethoxy-2-methylbenzamide (PubChem CID 12637452) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,N-diethyl-3,5-dimethoxy-2-methylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-3,5-dimethoxy-2-methylbenzamide
PubChem CID12637452
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN,N-diethyl-3,5-dimethoxy-2-methylbenzamide
SMILESCCN(CC)C(=O)c1cc(OC)cc(OC)c1C
InChIInChI=1S/C14H21NO3/c1-6-15(7-2)14(16)12-8-11(17-4)9-13(18-5)10(12)3/h8-9H,6-7H2,1-5H3
InChIKeyOHPCXNIHPPGEGZ-UHFFFAOYSA-N
XLogP2.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 112606111
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188
1-(3,5-dimethoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 117319727
2-amino-3,5-dimethoxy-N,N-dipropylbenzamide
CID 115950412
2-butyl-N,N-diethyl-4,6-dimethoxybenzamide
CID 86164475
N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid
CID 158871695
2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide
CID 115950552
N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide
CID 138964223
2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide
CID 135053285
N-benzyl-N-ethyl-2,4,6-trimethoxybenzamide
CID 110764638
[2-(diethylcarbamoyl)-5-methoxyphenyl]selanyllithium
CID 134891251
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,5-dimethoxy-2-methylbenzamide?
The IUPAC name of N,N-diethyl-3,5-dimethoxy-2-methylbenzamide (CID 12637452) is N,N-diethyl-3,5-dimethoxy-2-methylbenzamide.
What is the SMILES notation for N,N-diethyl-3,5-dimethoxy-2-methylbenzamide?
The canonical SMILES for N,N-diethyl-3,5-dimethoxy-2-methylbenzamide is CCN(CC)C(=O)c1cc(OC)cc(OC)c1C.
What is the InChIKey of N,N-diethyl-3,5-dimethoxy-2-methylbenzamide?
The InChIKey is OHPCXNIHPPGEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-6-15(7-2)14(16)12-8-11(17-4)9-13(18-5)10(12)3/h8-9H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-3,5-dimethoxy-2-methylbenzamide?
N,N-diethyl-3,5-dimethoxy-2-methylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,5-dimethoxy-2-methylbenzamide is sourced from PubChem (CID 12637452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).