1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea

C19H28N2O2S — CID 71869916

IUPAC1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
SMILESCSC1(CNC(=O)NCC2(c3ccccc3C)CC2)CCOCC1
InChIInChI=1S/C19H28N2O2S/c1-15-5-3-4-6-16(15)18(7-8-18)13-20-17(22)21-14-19(24-2)9-11-23-12-10-19/h3-6H,7-14H2,1-2H3,(H2,20,21,22)
InChIKeyYMKCAJRQNIIVKA-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.24
Rot. Bonds6

About 1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea

1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea (PubChem CID 71869916) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
PubChem CID71869916
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
SMILESCSC1(CNC(=O)NCC2(c3ccccc3C)CC2)CCOCC1
InChIInChI=1S/C19H28N2O2S/c1-15-5-3-4-6-16(15)18(7-8-18)13-20-17(22)21-14-19(24-2)9-11-23-12-10-19/h3-6H,7-14H2,1-2H3,(H2,20,21,22)
InChIKeyYMKCAJRQNIIVKA-UHFFFAOYSA-N
XLogP3.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea with MolForge

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Related Compounds

N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535
1-(1-hydroxypropan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]urea
CID 110904185
1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 71869947
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 47071137
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
2-(4-aminophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 119749794
2-amino-2-(4-methylphenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide;hydrochloride
CID 120667836
7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide
CID 119749786
2-methyl-1-(3-methylbutan-2-yl)-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]guanidine
CID 111000615
3-amino-2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 119749804

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea?
The IUPAC name of 1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea (CID 71869916) is 1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea.
What is the SMILES notation for 1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea?
The canonical SMILES for 1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea is CSC1(CNC(=O)NCC2(c3ccccc3C)CC2)CCOCC1.
What is the InChIKey of 1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea?
The InChIKey is YMKCAJRQNIIVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-15-5-3-4-6-16(15)18(7-8-18)13-20-17(22)21-14-19(24-2)9-11-23-12-10-19/h3-6H,7-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea?
1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea has a molecular weight of 348.51 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea is sourced from PubChem (CID 71869916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).