1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea

C19H35N3O2 — CID 146096396

IUPAC1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea
SMILESCC1CN(CCCNC(=O)NCC2CCCC3(CC3)C2)CC(C)O1
InChIInChI=1S/C19H35N3O2/c1-15-13-22(14-16(2)24-15)10-4-9-20-18(23)21-12-17-5-3-6-19(11-17)7-8-19/h15-17H,3-14H2,1-2H3,(H2,20,21,23)
InChIKeyAILUMWQBXMSMER-UHFFFAOYSA-N
MW337.51 g/mol
LogP2.76
Rot. Bonds6

About 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea

1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea (PubChem CID 146096396) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea.

Molecular Properties

Compound Name1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea
PubChem CID146096396
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea
SMILESCC1CN(CCCNC(=O)NCC2CCCC3(CC3)C2)CC(C)O1
InChIInChI=1S/C19H35N3O2/c1-15-13-22(14-16(2)24-15)10-4-9-20-18(23)21-12-17-5-3-6-19(11-17)7-8-19/h15-17H,3-14H2,1-2H3,(H2,20,21,23)
InChIKeyAILUMWQBXMSMER-UHFFFAOYSA-N
XLogP2.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea?
The IUPAC name of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea (CID 146096396) is 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea.
What is the SMILES notation for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea?
The canonical SMILES for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea is CC1CN(CCCNC(=O)NCC2CCCC3(CC3)C2)CC(C)O1.
What is the InChIKey of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea?
The InChIKey is AILUMWQBXMSMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-15-13-22(14-16(2)24-15)10-4-9-20-18(23)21-12-17-5-3-6-19(11-17)7-8-19/h15-17H,3-14H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea?
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea has a molecular weight of 337.51 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(spiro[2.5]octan-7-ylmethyl)urea is sourced from PubChem (CID 146096396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).