1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea

C19H29N3O2 — CID 75378432

IUPAC1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC2CCC(O)CC2)c(N2CCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-14-4-5-15(18(12-14)22-10-2-3-11-22)13-20-19(24)21-16-6-8-17(23)9-7-16/h4-5,12,16-17,23H,2-3,6-11,13H2,1H3,(H2,20,21,24)
InChIKeyVQBDQJQHWMLEGP-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.70
Rot. Bonds4

About 1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea

1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea (PubChem CID 75378432) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea
PubChem CID75378432
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC2CCC(O)CC2)c(N2CCCC2)c1
InChIInChI=1S/C19H29N3O2/c1-14-4-5-15(18(12-14)22-10-2-3-11-22)13-20-19(24)21-16-6-8-17(23)9-7-16/h4-5,12,16-17,23H,2-3,6-11,13H2,1H3,(H2,20,21,24)
InChIKeyVQBDQJQHWMLEGP-UHFFFAOYSA-N
XLogP2.70
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea (CID 75378432) is 1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea is Cc1ccc(CNC(=O)NC2CCC(O)CC2)c(N2CCCC2)c1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea?
The InChIKey is VQBDQJQHWMLEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-4-5-15(18(12-14)22-10-2-3-11-22)13-20-19(24)21-16-6-8-17(23)9-7-16/h4-5,12,16-17,23H,2-3,6-11,13H2,1H3,(H2,20,21,24).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea?
1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea has a molecular weight of 331.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]urea is sourced from PubChem (CID 75378432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).