1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide

C19H32N4O2 — CID 72875769

IUPAC1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESCCC[C@H]1CN(Cc2nccn2C)C[C@@H]1NC(=O)C1(COC)CCC1
InChIInChI=1S/C19H32N4O2/c1-4-6-15-11-23(13-17-20-9-10-22(17)2)12-16(15)21-18(24)19(14-25-3)7-5-8-19/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,21,24)/t15-,16-/m0/s1
InChIKeyVMSOOMIQQKGXHE-HOTGVXAUSA-N
MW348.49 g/mol
LogP1.95
Rot. Bonds8

About 1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide

1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide (PubChem CID 72875769) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide
PubChem CID72875769
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide
SMILESCCC[C@H]1CN(Cc2nccn2C)C[C@@H]1NC(=O)C1(COC)CCC1
InChIInChI=1S/C19H32N4O2/c1-4-6-15-11-23(13-17-20-9-10-22(17)2)12-16(15)21-18(24)19(14-25-3)7-5-8-19/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,21,24)/t15-,16-/m0/s1
InChIKeyVMSOOMIQQKGXHE-HOTGVXAUSA-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

Analyze 1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide (CID 72875769) is 1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide is CCC[C@H]1CN(Cc2nccn2C)C[C@@H]1NC(=O)C1(COC)CCC1.
What is the InChIKey of 1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
The InChIKey is VMSOOMIQQKGXHE-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-6-15-11-23(13-17-20-9-10-22(17)2)12-16(15)21-18(24)19(14-25-3)7-5-8-19/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,21,24)/t15-,16-/m0/s1.
What are the key properties of 1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide?
1-(methoxymethyl)-N-[(3R,4S)-1-[(1-methylimidazol-2-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-[(1-methylimidazol-2-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 72875769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).