N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide

C17H21N3O3 — CID 94018328

IUPACN-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(NCCn1ccnc1)c1ccccc1OC[C@H]1CCCO1
InChIInChI=1S/C17H21N3O3/c21-17(19-8-10-20-9-7-18-13-20)15-5-1-2-6-16(15)23-12-14-4-3-11-22-14/h1-2,5-7,9,13-14H,3-4,8,10-12H2,(H,19,21)/t14-/m1/s1
InChIKeyUBNLSKXPYUSNSK-CQSZACIVSA-N
MW315.37 g/mol
LogP1.87
Rot. Bonds7

About N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide

N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide (PubChem CID 94018328) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
PubChem CID94018328
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(NCCn1ccnc1)c1ccccc1OC[C@H]1CCCO1
InChIInChI=1S/C17H21N3O3/c21-17(19-8-10-20-9-7-18-13-20)15-5-1-2-6-16(15)23-12-14-4-3-11-22-14/h1-2,5-7,9,13-14H,3-4,8,10-12H2,(H,19,21)/t14-/m1/s1
InChIKeyUBNLSKXPYUSNSK-CQSZACIVSA-N
XLogP1.87
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
N-(2-imidazol-1-ylethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 77082155
N-[2-(2,4-dichlorophenyl)ethyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 112803371
2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46422005
2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 30687716
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
N-(2-imidazol-1-ylethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72892898
methyl (E)-4-[[2-(oxolan-2-ylmethoxy)benzoyl]amino]but-2-enoate
CID 146076875
2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 43035749
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 43034954
N-(2-benzylpyrazol-3-yl)-2-(oxolan-2-ylmethoxy)benzamide
CID 24535045

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide (CID 94018328) is N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide is O=C(NCCn1ccnc1)c1ccccc1OC[C@H]1CCCO1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is UBNLSKXPYUSNSK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-17(19-8-10-20-9-7-18-13-20)15-5-1-2-6-16(15)23-12-14-4-3-11-22-14/h1-2,5-7,9,13-14H,3-4,8,10-12H2,(H,19,21)/t14-/m1/s1.
What are the key properties of N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide?
N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 315.37 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-[[(2R)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 94018328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).