N-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide

C17H24N4O2 — CID 154788533

IUPACN-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide
SMILESCCC(CNc1ccccc1)NC(=O)COCc1nccn1C
InChIInChI=1S/C17H24N4O2/c1-3-14(11-19-15-7-5-4-6-8-15)20-17(22)13-23-12-16-18-9-10-21(16)2/h4-10,14,19H,3,11-13H2,1-2H3,(H,20,22)
InChIKeyMLNGPYXGJJEMNX-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.94
Rot. Bonds9

About N-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide

N-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide (PubChem CID 154788533) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide
PubChem CID154788533
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide
SMILESCCC(CNc1ccccc1)NC(=O)COCc1nccn1C
InChIInChI=1S/C17H24N4O2/c1-3-14(11-19-15-7-5-4-6-8-15)20-17(22)13-23-12-16-18-9-10-21(16)2/h4-10,14,19H,3,11-13H2,1-2H3,(H,20,22)
InChIKeyMLNGPYXGJJEMNX-UHFFFAOYSA-N
XLogP1.94
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide 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

N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide
CID 125443273
1-anilino-3-(1-methylimidazol-2-yl)propan-2-one
CID 116555402
N-[3-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 62357401
N-(2-anilino-3-methylbutyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55793957
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide
CID 51952155
N-(6-cyclopentyloxy-3-pyridinyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide
CID 122153298
(1-methylimidazol-2-yl)methyl propanoate
CID 166101479
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537
5-methyl-1-(1-methylimidazol-2-yl)-4-phenylheptan-3-one
CID 115811755
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
N-[(1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088152

Frequently Asked Questions

What is the IUPAC name of N-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide?
The IUPAC name of N-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide (CID 154788533) is N-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide.
What is the SMILES notation for N-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide?
The canonical SMILES for N-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide is CCC(CNc1ccccc1)NC(=O)COCc1nccn1C.
What is the InChIKey of N-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide?
The InChIKey is MLNGPYXGJJEMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-14(11-19-15-7-5-4-6-8-15)20-17(22)13-23-12-16-18-9-10-21(16)2/h4-10,14,19H,3,11-13H2,1-2H3,(H,20,22).
What are the key properties of N-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide?
N-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide has a molecular weight of 316.41 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-anilinobutan-2-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide is sourced from PubChem (CID 154788533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).