2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide

C17H21N3O2 — CID 97088063

IUPAC2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
SMILESC[C@@H](Cn1ccnc1)NC(=O)c1ccccc1OC1CCC1
InChIInChI=1S/C17H21N3O2/c1-13(11-20-10-9-18-12-20)19-17(21)15-7-2-3-8-16(15)22-14-5-4-6-14/h2-3,7-10,12-14H,4-6,11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyKKZJSCGJQABECP-ZDUSSCGKSA-N
MW299.37 g/mol
LogP2.63
Rot. Bonds6

About 2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide

2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide (PubChem CID 97088063) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
PubChem CID97088063
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
SMILESC[C@@H](Cn1ccnc1)NC(=O)c1ccccc1OC1CCC1
InChIInChI=1S/C17H21N3O2/c1-13(11-20-10-9-18-12-20)19-17(21)15-7-2-3-8-16(15)22-14-5-4-6-14/h2-3,7-10,12-14H,4-6,11H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyKKZJSCGJQABECP-ZDUSSCGKSA-N
XLogP2.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyloxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 71875442
1-(2-cyclopentyloxyphenyl)-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 95313090
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 94177209
N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72892898
2-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 62241282
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 94173055
3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95159872
2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide
CID 47036680
2-cyclobutyloxy-N-(3-hydroxybutyl)benzamide
CID 111433576
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide?
The IUPAC name of 2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide (CID 97088063) is 2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide.
What is the SMILES notation for 2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide?
The canonical SMILES for 2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide is C[C@@H](Cn1ccnc1)NC(=O)c1ccccc1OC1CCC1.
What is the InChIKey of 2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide?
The InChIKey is KKZJSCGJQABECP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(11-20-10-9-18-12-20)19-17(21)15-7-2-3-8-16(15)22-14-5-4-6-14/h2-3,7-10,12-14H,4-6,11H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide?
2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide has a molecular weight of 299.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide is sourced from PubChem (CID 97088063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).