1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea

C21H27N3O2 — CID 154836948

IUPAC1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea
SMILESCOc1ccc(C)cc1CN(C)C(=O)NCC1(c2ccccn2)CCC1
InChIInChI=1S/C21H27N3O2/c1-16-8-9-18(26-3)17(13-16)14-24(2)20(25)23-15-21(10-6-11-21)19-7-4-5-12-22-19/h4-5,7-9,12-13H,6,10-11,14-15H2,1-3H3,(H,23,25)
InChIKeyAJYWLGQTXZFBQK-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.66
Rot. Bonds6

About 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea

1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea (PubChem CID 154836948) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea
PubChem CID154836948
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea
SMILESCOc1ccc(C)cc1CN(C)C(=O)NCC1(c2ccccn2)CCC1
InChIInChI=1S/C21H27N3O2/c1-16-8-9-18(26-3)17(13-16)14-24(2)20(25)23-15-21(10-6-11-21)19-7-4-5-12-22-19/h4-5,7-9,12-13H,6,10-11,14-15H2,1-3H3,(H,23,25)
InChIKeyAJYWLGQTXZFBQK-UHFFFAOYSA-N
XLogP3.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea with MolForge

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Related Compounds

1,1-dimethyl-3-[(1-pyridin-2-ylcyclopentyl)methyl]urea
CID 110478720
1-amino-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81172694
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
3-oxo-N-[(1-pyridin-2-ylcyclopentyl)methyl]butanamide
CID 110477352
1-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62095246
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
4-chloro-N-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 9469935
3-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-1-methyl-1-(2-methylprop-2-enyl)urea
CID 86783814
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-methoxy-5-methylbenzoate
CID 34305470
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 9469697
(2S,3S)-N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51886179
2-(4-benzylpiperazin-1-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 30863225

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea?
The IUPAC name of 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea (CID 154836948) is 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea?
The canonical SMILES for 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea is COc1ccc(C)cc1CN(C)C(=O)NCC1(c2ccccn2)CCC1.
What is the InChIKey of 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea?
The InChIKey is AJYWLGQTXZFBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-8-9-18(26-3)17(13-16)14-24(2)20(25)23-15-21(10-6-11-21)19-7-4-5-12-22-19/h4-5,7-9,12-13H,6,10-11,14-15H2,1-3H3,(H,23,25).
What are the key properties of 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea?
1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea has a molecular weight of 353.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-5-methylphenyl)methyl]-1-methyl-3-[(1-pyridin-2-ylcyclobutyl)methyl]urea is sourced from PubChem (CID 154836948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).