2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide

C20H24N2O4 — CID 32509130

IUPAC2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide
SMILESCOc1cc(NC(=O)c2cc(C)cc(C)c2)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C20H24N2O4/c1-12-7-13(2)9-14(8-12)19(23)21-16-11-18(26-6)17(25-5)10-15(16)20(24)22(3)4/h7-11H,1-6H3,(H,21,23)
InChIKeyHNWHXPSHXURYQT-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.27
Rot. Bonds5

About 2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide

2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide (PubChem CID 32509130) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide
PubChem CID32509130
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide
SMILESCOc1cc(NC(=O)c2cc(C)cc(C)c2)c(C(=O)N(C)C)cc1OC
InChIInChI=1S/C20H24N2O4/c1-12-7-13(2)9-14(8-12)19(23)21-16-11-18(26-6)17(25-5)10-15(16)20(24)22(3)4/h7-11H,1-6H3,(H,21,23)
InChIKeyHNWHXPSHXURYQT-UHFFFAOYSA-N
XLogP3.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide?
The IUPAC name of 2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide (CID 32509130) is 2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide is COc1cc(NC(=O)c2cc(C)cc(C)c2)c(C(=O)N(C)C)cc1OC.
What is the InChIKey of 2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide?
The InChIKey is HNWHXPSHXURYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12-7-13(2)9-14(8-12)19(23)21-16-11-18(26-6)17(25-5)10-15(16)20(24)22(3)4/h7-11H,1-6H3,(H,21,23).
What are the key properties of 2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide?
2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide has a molecular weight of 356.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylbenzoyl)amino]-4,5-dimethoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 32509130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).