1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea

C15H26N4O2 — CID 96520297

IUPAC1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea
SMILESCO[C@@]1(C)C[C@@H](N(C)C(=O)NCc2nccn2C)C1(C)C
InChIInChI=1S/C15H26N4O2/c1-14(2)11(9-15(14,3)21-6)19(5)13(20)17-10-12-16-7-8-18(12)4/h7-8,11H,9-10H2,1-6H3,(H,17,20)/t11-,15+/m1/s1
InChIKeyGXVWGQWTYNNQOM-ABAIWWIYSA-N
MW294.40 g/mol
LogP1.77
Rot. Bonds4

About 1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea

1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 96520297) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID96520297
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea
SMILESCO[C@@]1(C)C[C@@H](N(C)C(=O)NCc2nccn2C)C1(C)C
InChIInChI=1S/C15H26N4O2/c1-14(2)11(9-15(14,3)21-6)19(5)13(20)17-10-12-16-7-8-18(12)4/h7-8,11H,9-10H2,1-6H3,(H,17,20)/t11-,15+/m1/s1
InChIKeyGXVWGQWTYNNQOM-ABAIWWIYSA-N
XLogP1.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea with MolForge

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Related Compounds

4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266133
1-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 80593971
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-1-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methylurea
CID 124777906
2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 82768436
1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 119067480
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate
CID 63295782
4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 63293989
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
4-(aminomethyl)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-N-methylbenzamide
CID 124685693

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea (CID 96520297) is 1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea is CO[C@@]1(C)C[C@@H](N(C)C(=O)NCc2nccn2C)C1(C)C.
What is the InChIKey of 1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is GXVWGQWTYNNQOM-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-14(2)11(9-15(14,3)21-6)19(5)13(20)17-10-12-16-7-8-18(12)4/h7-8,11H,9-10H2,1-6H3,(H,17,20)/t11-,15+/m1/s1.
What are the key properties of 1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea?
1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 294.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 96520297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).