1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

C17H24N2O2 — CID 71981475

IUPAC1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCc1ccc(C(NC(=O)NCC2(CO)CC2)C2CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-12-2-4-13(5-3-12)15(14-6-7-14)19-16(21)18-10-17(11-20)8-9-17/h2-5,14-15,20H,6-11H2,1H3,(H2,18,19,21)
InChIKeyMBLFYHQXODBMGJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.52
Rot. Bonds6

About 1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea

1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (PubChem CID 71981475) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
PubChem CID71981475
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
SMILESCc1ccc(C(NC(=O)NCC2(CO)CC2)C2CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-12-2-4-13(5-3-12)15(14-6-7-14)19-16(21)18-10-17(11-20)8-9-17/h2-5,14-15,20H,6-11H2,1H3,(H2,18,19,21)
InChIKeyMBLFYHQXODBMGJ-UHFFFAOYSA-N
XLogP2.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dicyclopropylmethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618467
1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea
CID 38948033
1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426672
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111109592
1-[(R)-1-benzofuran-2-yl(cyclopropyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 97319276
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-(4-methylphenyl)methanamine
CID 114099572
1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438060
1-(1-cyclopropyl-2-phenylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618937
1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 51469806
1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619002
1-[cyclopropyl(phenyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936515
1-cyclopropyl-3-[(S)-cyclopropyl-(4-methylphenyl)methyl]-1-(2-hydroxyethyl)urea
CID 96534331

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea (CID 71981475) is 1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is Cc1ccc(C(NC(=O)NCC2(CO)CC2)C2CC2)cc1.
What is the InChIKey of 1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
The InChIKey is MBLFYHQXODBMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-2-4-13(5-3-12)15(14-6-7-14)19-16(21)18-10-17(11-20)8-9-17/h2-5,14-15,20H,6-11H2,1H3,(H2,18,19,21).
What are the key properties of 1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea?
1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea has a molecular weight of 288.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 71981475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).