3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide

C14H18N4O2 — CID 64512332

IUPAC3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2ncc[nH]2)cc1N
InChIInChI=1S/C14H18N4O2/c1-3-20-12-5-4-10(8-11(12)15)14(19)18(2)9-13-16-6-7-17-13/h4-8H,3,9,15H2,1-2H3,(H,16,17)
InChIKeyLQOAWWCQGFQLJI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.66
Rot. Bonds5

About 3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide

3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide (PubChem CID 64512332) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
PubChem CID64512332
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2ncc[nH]2)cc1N
InChIInChI=1S/C14H18N4O2/c1-3-20-12-5-4-10(8-11(12)15)14(19)18(2)9-13-16-6-7-17-13/h4-8H,3,9,15H2,1-2H3,(H,16,17)
InChIKeyLQOAWWCQGFQLJI-UHFFFAOYSA-N
XLogP1.66
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510575
6-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 64519117
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519
N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999017
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
3-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64516965
N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 63929739
N-(1H-imidazol-2-ylmethyl)-3-methoxy-N-methyl-4-nitrobenzamide
CID 115621030
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 64519698

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
The IUPAC name of 3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide (CID 64512332) is 3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide is CCOc1ccc(C(=O)N(C)Cc2ncc[nH]2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
The InChIKey is LQOAWWCQGFQLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-20-12-5-4-10(8-11(12)15)14(19)18(2)9-13-16-6-7-17-13/h4-8H,3,9,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide?
3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide has a molecular weight of 274.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 64512332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).