3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H21N3O2 — CID 95159872

IUPAC3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESC[C@H](Cn1ccnc1)NC(=O)c1cc2c(cc1O)CCCC2
InChIInChI=1S/C17H21N3O2/c1-12(10-20-7-6-18-11-20)19-17(22)15-8-13-4-2-3-5-14(13)9-16(15)21/h6-9,11-12,21H,2-5,10H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyZHOULFBCGCZJDK-GFCCVEGCSA-N
MW299.37 g/mol
LogP2.29
Rot. Bonds4

About 3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 95159872) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID95159872
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESC[C@H](Cn1ccnc1)NC(=O)c1cc2c(cc1O)CCCC2
InChIInChI=1S/C17H21N3O2/c1-12(10-20-7-6-18-11-20)19-17(22)15-8-13-4-2-3-5-14(13)9-16(15)21/h6-9,11-12,21H,2-5,10H2,1H3,(H,19,22)/t12-/m1/s1
InChIKeyZHOULFBCGCZJDK-GFCCVEGCSA-N
XLogP2.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide with MolForge

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Related Compounds

3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-4-iodobenzamide
CID 104627718
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
2,5-dichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114917693
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933
4-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1H-pyrrole-2-carboxamide
CID 47187642
2-cyclobutyloxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 71875442
2-cyclobutyloxy-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 97088063
2-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 62241282
2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide
CID 47036680
N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide
CID 94448585

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 95159872) is 3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is C[C@H](Cn1ccnc1)NC(=O)c1cc2c(cc1O)CCCC2.
What is the InChIKey of 3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ZHOULFBCGCZJDK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(10-20-7-6-18-11-20)19-17(22)15-8-13-4-2-3-5-14(13)9-16(15)21/h6-9,11-12,21H,2-5,10H2,1H3,(H,19,22)/t12-/m1/s1.
What are the key properties of 3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 95159872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).