1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide

C19H32N4O2 — CID 72882319

IUPAC1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESCCC[C@H]1CN(Cc2cncn2C)C[C@@H]1NC(=O)C1(COC)CCC1
InChIInChI=1S/C19H32N4O2/c1-4-6-15-10-23(11-16-9-20-14-22(16)2)12-17(15)21-18(24)19(13-25-3)7-5-8-19/h9,14-15,17H,4-8,10-13H2,1-3H3,(H,21,24)/t15-,17-/m0/s1
InChIKeyXTNOMGSCANQIBT-RDJZCZTQSA-N
MW348.49 g/mol
LogP1.95
Rot. Bonds8

About 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide

1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide (PubChem CID 72882319) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide
PubChem CID72882319
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESCCC[C@H]1CN(Cc2cncn2C)C[C@@H]1NC(=O)C1(COC)CCC1
InChIInChI=1S/C19H32N4O2/c1-4-6-15-10-23(11-16-9-20-14-22(16)2)12-17(15)21-18(24)19(13-25-3)7-5-8-19/h9,14-15,17H,4-8,10-13H2,1-3H3,(H,21,24)/t15-,17-/m0/s1
InChIKeyXTNOMGSCANQIBT-RDJZCZTQSA-N
XLogP1.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(methoxymethyl)-N-{rel-(3R,4S)-1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-propyl-3-pyrrolidinyl}cyclobutanecarboxamide dihydrochloride
CID 72875769
2-cyclobutyl-N-[rel-(3R,4S)-1-(1H-imidazol-4-ylmethyl)-4-isopropyl-3-pyrrolidinyl]acetamide dihydrochloride
CID 72935029
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]cyclobutanecarboxamide
CID 60311760
N-{rel-(3R,4S)-1-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-4-propyl-3-pyrrolidinyl}cyclobutanecarboxamide dihydrochloride
CID 72862382
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1-methylcyclobutane-1-carboxamide
CID 91644093
(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide
CID 136587695
N-(3-fluoro-3-methylcyclobutyl)-3-[(3-methylimidazol-4-yl)methylamino]-2-(oxan-4-yl)propanamide
CID 167787236
1-(methoxymethyl)-N-{[1-methyl-2-(methylthio)-1H-imidazol-5-yl]methyl}cyclobutanecarboxamide
CID 50958089
2-ethyl-2-methyl-N-[(1-methylimidazol-4-yl)methyl]pentanamide
CID 135256550
2-methyl-N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]pentanamide
CID 169910203
1-(cyclohexylcarbonyl)-N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}pyrrolidine-2-carboxamide
CID 46991307
2-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56915579

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide (CID 72882319) is 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide is CCC[C@H]1CN(Cc2cncn2C)C[C@@H]1NC(=O)C1(COC)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
The InChIKey is XTNOMGSCANQIBT-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-6-15-10-23(11-16-9-20-14-22(16)2)12-17(15)21-18(24)19(13-25-3)7-5-8-19/h9,14-15,17H,4-8,10-13H2,1-3H3,(H,21,24)/t15-,17-/m0/s1.
What are the key properties of 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methylimidazol-4-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 72882319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).