1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea

C19H31N3O2 — CID 84589785

IUPAC1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea
SMILESCN(Cc1ccccc1)CC(C)(C)NC(=O)NC1CCC(O)CC1
InChIInChI=1S/C19H31N3O2/c1-19(2,14-22(3)13-15-7-5-4-6-8-15)21-18(24)20-16-9-11-17(23)12-10-16/h4-8,16-17,23H,9-14H2,1-3H3,(H2,20,21,24)
InChIKeyFPUTZBKWPIDZQN-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.50
Rot. Bonds6

About 1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea

1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea (PubChem CID 84589785) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea
PubChem CID84589785
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea
SMILESCN(Cc1ccccc1)CC(C)(C)NC(=O)NC1CCC(O)CC1
InChIInChI=1S/C19H31N3O2/c1-19(2,14-22(3)13-15-7-5-4-6-8-15)21-18(24)20-16-9-11-17(23)12-10-16/h4-8,16-17,23H,9-14H2,1-3H3,(H2,20,21,24)
InChIKeyFPUTZBKWPIDZQN-UHFFFAOYSA-N
XLogP2.50
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea (CID 84589785) is 1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea is CN(Cc1ccccc1)CC(C)(C)NC(=O)NC1CCC(O)CC1.
What is the InChIKey of 1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea?
The InChIKey is FPUTZBKWPIDZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-19(2,14-22(3)13-15-7-5-4-6-8-15)21-18(24)20-16-9-11-17(23)12-10-16/h4-8,16-17,23H,9-14H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea?
1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea has a molecular weight of 333.48 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 84589785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).