N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide

C19H25N3O3 — CID 94092667

IUPACN-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESCOc1ccccc1[C@H](NC(=O)CC[C@H]1CCCO1)c1nccn1C
InChIInChI=1S/C19H25N3O3/c1-22-12-11-20-19(22)18(15-7-3-4-8-16(15)24-2)21-17(23)10-9-14-6-5-13-25-14/h3-4,7-8,11-12,14,18H,5-6,9-10,13H2,1-2H3,(H,21,23)/t14-,18+/m1/s1
InChIKeyDIQCTUIWKVGIMK-KDOFPFPSSA-N
MW343.43 g/mol
LogP2.59
Rot. Bonds7

About N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide

N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide (PubChem CID 94092667) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
PubChem CID94092667
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESCOc1ccccc1[C@H](NC(=O)CC[C@H]1CCCO1)c1nccn1C
InChIInChI=1S/C19H25N3O3/c1-22-12-11-20-19(22)18(15-7-3-4-8-16(15)24-2)21-17(23)10-9-14-6-5-13-25-14/h3-4,7-8,11-12,14,18H,5-6,9-10,13H2,1-2H3,(H,21,23)/t14-,18+/m1/s1
InChIKeyDIQCTUIWKVGIMK-KDOFPFPSSA-N
XLogP2.59
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide
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N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(phenylcarbamoylamino)propanamide
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2-(4-fluorophenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
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N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 51269487
2-(3-hydroxyphenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
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1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide?
The IUPAC name of N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide (CID 94092667) is N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide is COc1ccccc1[C@H](NC(=O)CC[C@H]1CCCO1)c1nccn1C.
What is the InChIKey of N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide?
The InChIKey is DIQCTUIWKVGIMK-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-22-12-11-20-19(22)18(15-7-3-4-8-16(15)24-2)21-17(23)10-9-14-6-5-13-25-14/h3-4,7-8,11-12,14,18H,5-6,9-10,13H2,1-2H3,(H,21,23)/t14-,18+/m1/s1.
What are the key properties of N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide?
N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide is sourced from PubChem (CID 94092667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).