1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea

C19H27N3O3 — CID 1444549

IUPAC1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea
SMILESCOc1ccc(NC(=O)NC2(C(=O)N3CCCC3)CCCCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-25-16-9-7-15(8-10-16)20-18(24)21-19(11-3-2-4-12-19)17(23)22-13-5-6-14-22/h7-10H,2-6,11-14H2,1H3,(H2,20,21,24)
InChIKeyRHAHZAIOOPLQRC-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.14
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea

1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea (PubChem CID 1444549) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea
PubChem CID1444549
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea
SMILESCOc1ccc(NC(=O)NC2(C(=O)N3CCCC3)CCCCC2)cc1
InChIInChI=1S/C19H27N3O3/c1-25-16-9-7-15(8-10-16)20-18(24)21-19(11-3-2-4-12-19)17(23)22-13-5-6-14-22/h7-10H,2-6,11-14H2,1H3,(H2,20,21,24)
InChIKeyRHAHZAIOOPLQRC-UHFFFAOYSA-N
XLogP3.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea (CID 1444549) is 1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea is COc1ccc(NC(=O)NC2(C(=O)N3CCCC3)CCCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea?
The InChIKey is RHAHZAIOOPLQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-25-16-9-7-15(8-10-16)20-18(24)21-19(11-3-2-4-12-19)17(23)22-13-5-6-14-22/h7-10H,2-6,11-14H2,1H3,(H2,20,21,24).
What are the key properties of 1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea?
1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea has a molecular weight of 345.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[1-(pyrrolidine-1-carbonyl)cyclohexyl]urea is sourced from PubChem (CID 1444549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).