1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea

C21H37N3O2 — CID 28694158

IUPAC1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea
SMILESO=C(NC1CCCCC1)N(CCCN1CCOCC1)C[C@@H]1CC=CCC1
InChIInChI=1S/C21H37N3O2/c25-21(22-20-10-5-2-6-11-20)24(18-19-8-3-1-4-9-19)13-7-12-23-14-16-26-17-15-23/h1,3,19-20H,2,4-18H2,(H,22,25)/t19-/m1/s1
InChIKeyMLVPGNBSLONUCE-LJQANCHMSA-N
MW363.55 g/mol
LogP3.41
Rot. Bonds7

About 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea

1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea (PubChem CID 28694158) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea
PubChem CID28694158
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC Name1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea
SMILESO=C(NC1CCCCC1)N(CCCN1CCOCC1)C[C@@H]1CC=CCC1
InChIInChI=1S/C21H37N3O2/c25-21(22-20-10-5-2-6-11-20)24(18-19-8-3-1-4-9-19)13-7-12-23-14-16-26-17-15-23/h1,3,19-20H,2,4-18H2,(H,22,25)/t19-/m1/s1
InChIKeyMLVPGNBSLONUCE-LJQANCHMSA-N
XLogP3.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 53.41
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-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea (CID 28694158) is 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea is O=C(NC1CCCCC1)N(CCCN1CCOCC1)C[C@@H]1CC=CCC1.
What is the InChIKey of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea?
The InChIKey is MLVPGNBSLONUCE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H37N3O2/c25-21(22-20-10-5-2-6-11-20)24(18-19-8-3-1-4-9-19)13-7-12-23-14-16-26-17-15-23/h1,3,19-20H,2,4-18H2,(H,22,25)/t19-/m1/s1.
What are the key properties of 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea?
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea has a molecular weight of 363.55 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-cyclohexyl-1-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 28694158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).