N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide

C17H24N4O3 — CID 135112173

IUPACN-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(CCN(C)C)Cc2cnc[nH]2)cc1OC
InChIInChI=1S/C17H24N4O3/c1-20(2)7-8-21(11-14-10-18-12-19-14)17(22)13-5-6-15(23-3)16(9-13)24-4/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,18,19)
InChIKeyFACDVHNYAPXPQO-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.63
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide

N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide (PubChem CID 135112173) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide
PubChem CID135112173
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N(CCN(C)C)Cc2cnc[nH]2)cc1OC
InChIInChI=1S/C17H24N4O3/c1-20(2)7-8-21(11-14-10-18-12-19-14)17(22)13-5-6-15(23-3)16(9-13)24-4/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,18,19)
InChIKeyFACDVHNYAPXPQO-UHFFFAOYSA-N
XLogP1.63
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide (CID 135112173) is N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)N(CCN(C)C)Cc2cnc[nH]2)cc1OC.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide?
The InChIKey is FACDVHNYAPXPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-20(2)7-8-21(11-14-10-18-12-19-14)17(22)13-5-6-15(23-3)16(9-13)24-4/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,18,19).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide?
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide has a molecular weight of 332.40 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 135112173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).