N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide

C20H27N3O3 — CID 42819265

IUPACN-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1nccn1Cc1ccc(OC)cc1)CC1CCCO1
InChIInChI=1S/C20H27N3O3/c1-3-20(24)23(14-18-5-4-12-26-18)15-19-21-10-11-22(19)13-16-6-8-17(25-2)9-7-16/h6-11,18H,3-5,12-15H2,1-2H3
InChIKeyXPZYPNRVSYKLEY-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.86
Rot. Bonds8

About N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide

N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 42819265) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID42819265
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCC(=O)N(Cc1nccn1Cc1ccc(OC)cc1)CC1CCCO1
InChIInChI=1S/C20H27N3O3/c1-3-20(24)23(14-18-5-4-12-26-18)15-19-21-10-11-22(19)13-16-6-8-17(25-2)9-7-16/h6-11,18H,3-5,12-15H2,1-2H3
InChIKeyXPZYPNRVSYKLEY-UHFFFAOYSA-N
XLogP2.86
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N-(oxolan-2-ylmethyl)acetamide
CID 24712506
N-[(1-benzylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 42818587
1-[[1-[(3,4-difluorophenyl)methyl]imidazol-2-yl]methyl]-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 42819969
N-[(4-methoxyphenyl)methyl]-3-(2-methylpyrazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 99929919
4-methoxy-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 42819785
N-cyclopropyl-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-3-methylbutanamide
CID 42819247
N-[(4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]methanamine
CID 125177897
N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 97270295
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40850277
N-[(4-methoxyphenyl)methyl]-2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 99940692
4-chloro-1-ethyl-N-[(4-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 99938939

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide (CID 42819265) is N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide is CCC(=O)N(Cc1nccn1Cc1ccc(OC)cc1)CC1CCCO1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is XPZYPNRVSYKLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-20(24)23(14-18-5-4-12-26-18)15-19-21-10-11-22(19)13-16-6-8-17(25-2)9-7-16/h6-11,18H,3-5,12-15H2,1-2H3.
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide?
N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 357.45 g/mol, XLogP of 2.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 42819265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).