N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid

C24H33NO7 — CID 158871695

IUPACN,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid
SMILESCCN(CC)C(=O)c1cc(C)c(OC)cc1OC.COc1cc(OC)c(C(=O)O)cc1C
InChIInChI=1S/C14H21NO3.C10H12O4/c1-6-15(7-2)14(16)11-8-10(3)12(17-4)9-13(11)18-5;1-6-4-7(10(11)12)9(14-3)5-8(6)13-2/h8-9H,6-7H2,1-5H3;4-5H,1-3H3,(H,11,12)
InChIKeyJBXPMCXZTJOAKG-UHFFFAOYSA-N
MW447.53 g/mol
LogP4.20
Rot. Bonds8

About N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid

N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid (PubChem CID 158871695) has the molecular formula C24H33NO7 and a molecular weight of 447.53 g/mol. Its IUPAC name is N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid.

Molecular Properties

Compound NameN,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid
PubChem CID158871695
Molecular FormulaC24H33NO7
Molecular Weight447.53 g/mol
Exact Mass447.23
IUPAC NameN,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid
SMILESCCN(CC)C(=O)c1cc(C)c(OC)cc1OC.COc1cc(OC)c(C(=O)O)cc1C
InChIInChI=1S/C14H21NO3.C10H12O4/c1-6-15(7-2)14(16)11-8-10(3)12(17-4)9-13(11)18-5;1-6-4-7(10(11)12)9(14-3)5-8(6)13-2/h8-9H,6-7H2,1-5H3;4-5H,1-3H3,(H,11,12)
InChIKeyJBXPMCXZTJOAKG-UHFFFAOYSA-N
XLogP4.20
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid
CID 162265472
5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride
CID 65368924
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188
N,N-diethyl-3,5-dimethoxy-2-methylbenzamide
CID 12637452
N-[2-(diethylamino)-2-oxoethyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 31369496
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide
CID 164894117
N,N-diethyl-2-methoxy-3-methylbenzamide
CID 12902424
N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide
CID 138964223
N-butyl-2-methoxy-N,4,5-trimethylbenzamide
CID 110761549

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid?
The IUPAC name of N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid (CID 158871695) is N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid.
What is the SMILES notation for N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid?
The canonical SMILES for N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid is CCN(CC)C(=O)c1cc(C)c(OC)cc1OC.COc1cc(OC)c(C(=O)O)cc1C.
What is the InChIKey of N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid?
The InChIKey is JBXPMCXZTJOAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3.C10H12O4/c1-6-15(7-2)14(16)11-8-10(3)12(17-4)9-13(11)18-5;1-6-4-7(10(11)12)9(14-3)5-8(6)13-2/h8-9H,6-7H2,1-5H3;4-5H,1-3H3,(H,11,12).
What are the key properties of N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid?
N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid has a molecular weight of 447.53 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid is sourced from PubChem (CID 158871695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).