1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea

C17H24N2O2 — CID 84584430

IUPAC1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCc1ccccc1C(NC(=O)NCC1(O)CCC1)C1CC1
InChIInChI=1S/C17H24N2O2/c1-12-5-2-3-6-14(12)15(13-7-8-13)19-16(20)18-11-17(21)9-4-10-17/h2-3,5-6,13,15,21H,4,7-11H2,1H3,(H2,18,19,20)
InChIKeyRHOPPIONKXUBBQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.66
Rot. Bonds5

About 1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea

1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea (PubChem CID 84584430) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
PubChem CID84584430
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
SMILESCc1ccccc1C(NC(=O)NCC1(O)CCC1)C1CC1
InChIInChI=1S/C17H24N2O2/c1-12-5-2-3-6-14(12)15(13-7-8-13)19-16(20)18-11-17(21)9-4-10-17/h2-3,5-6,13,15,21H,4,7-11H2,1H3,(H2,18,19,20)
InChIKeyRHOPPIONKXUBBQ-UHFFFAOYSA-N
XLogP2.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The IUPAC name of 1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea (CID 84584430) is 1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea.
What is the SMILES notation for 1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The canonical SMILES for 1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea is Cc1ccccc1C(NC(=O)NCC1(O)CCC1)C1CC1.
What is the InChIKey of 1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
The InChIKey is RHOPPIONKXUBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-5-2-3-6-14(12)15(13-7-8-13)19-16(20)18-11-17(21)9-4-10-17/h2-3,5-6,13,15,21H,4,7-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea?
1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea has a molecular weight of 288.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(2-methylphenyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea is sourced from PubChem (CID 84584430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).