1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea

C17H31N3O2 — CID 29080135

IUPAC1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
SMILESCCCNC(=O)N(CCN1CCOCC1)C[C@H]1CC=CCC1
InChIInChI=1S/C17H31N3O2/c1-2-8-18-17(21)20(15-16-6-4-3-5-7-16)10-9-19-11-13-22-14-12-19/h3-4,16H,2,5-15H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyOVMGONOMVQXMJX-INIZCTEOSA-N
MW309.45 g/mol
LogP2.10
Rot. Bonds7

About 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea (PubChem CID 29080135) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea.

Molecular Properties

Compound Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
PubChem CID29080135
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea
SMILESCCCNC(=O)N(CCN1CCOCC1)C[C@H]1CC=CCC1
InChIInChI=1S/C17H31N3O2/c1-2-8-18-17(21)20(15-16-6-4-3-5-7-16)10-9-19-11-13-22-14-12-19/h3-4,16H,2,5-15H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyOVMGONOMVQXMJX-INIZCTEOSA-N
XLogP2.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea?
The IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea (CID 29080135) is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea.
What is the SMILES notation for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea?
The canonical SMILES for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea is CCCNC(=O)N(CCN1CCOCC1)C[C@H]1CC=CCC1.
What is the InChIKey of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea?
The InChIKey is OVMGONOMVQXMJX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-2-8-18-17(21)20(15-16-6-4-3-5-7-16)10-9-19-11-13-22-14-12-19/h3-4,16H,2,5-15H2,1H3,(H,18,21)/t16-/m0/s1.
What are the key properties of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea?
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea has a molecular weight of 309.45 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propylurea is sourced from PubChem (CID 29080135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).