N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide

C18H25N3O4 — CID 135120142

IUPACN-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)N(CCO)Cc2cnc(C)[nH]2)ccc1OC(C)C
InChIInChI=1S/C18H25N3O4/c1-12(2)25-16-6-5-14(9-17(16)24-4)18(23)21(7-8-22)11-15-10-19-13(3)20-15/h5-6,9-10,12,22H,7-8,11H2,1-4H3,(H,19,20)
InChIKeyJOZUVNUGXCIYTA-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.15
Rot. Bonds8

About N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide

N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide (PubChem CID 135120142) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide
PubChem CID135120142
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)N(CCO)Cc2cnc(C)[nH]2)ccc1OC(C)C
InChIInChI=1S/C18H25N3O4/c1-12(2)25-16-6-5-14(9-17(16)24-4)18(23)21(7-8-22)11-15-10-19-13(3)20-15/h5-6,9-10,12,22H,7-8,11H2,1-4H3,(H,19,20)
InChIKeyJOZUVNUGXCIYTA-UHFFFAOYSA-N
XLogP2.15
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 137334924
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-propan-2-ylbenzamide
CID 135115054
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propylbenzamide
CID 135112894
3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
CID 78784416
2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 135120698
3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 86932709
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 112790335
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 135112173
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 110907491
4-ethoxy-N-(2-hydroxyethyl)-3-methoxy-N-propan-2-ylbenzamide
CID 43573393
3-methoxy-N-methyl-4-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 46539241
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 115772556

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide (CID 135120142) is N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide is COc1cc(C(=O)N(CCO)Cc2cnc(C)[nH]2)ccc1OC(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide?
The InChIKey is JOZUVNUGXCIYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12(2)25-16-6-5-14(9-17(16)24-4)18(23)21(7-8-22)11-15-10-19-13(3)20-15/h5-6,9-10,12,22H,7-8,11H2,1-4H3,(H,19,20).
What are the key properties of N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide?
N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide has a molecular weight of 347.42 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 135120142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).