1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea

C17H27N3O3 — CID 97071225

IUPAC1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
SMILESCc1ccc([C@@H](CNC(=O)N(C)C2CCC2)N2CCOCC2)o1
InChIInChI=1S/C17H27N3O3/c1-13-6-7-16(23-13)15(20-8-10-22-11-9-20)12-18-17(21)19(2)14-4-3-5-14/h6-7,14-15H,3-5,8-12H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyFCQUFGZDFSHOHK-OAHLLOKOSA-N
MW321.42 g/mol
LogP2.16
Rot. Bonds5

About 1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea

1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea (PubChem CID 97071225) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
PubChem CID97071225
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
SMILESCc1ccc([C@@H](CNC(=O)N(C)C2CCC2)N2CCOCC2)o1
InChIInChI=1S/C17H27N3O3/c1-13-6-7-16(23-13)15(20-8-10-22-11-9-20)12-18-17(21)19(2)14-4-3-5-14/h6-7,14-15H,3-5,8-12H2,1-2H3,(H,18,21)/t15-/m1/s1
InChIKeyFCQUFGZDFSHOHK-OAHLLOKOSA-N
XLogP2.16
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea with MolForge

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Related Compounds

(2S)-N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]oxolane-2-carboxamide
CID 94180518
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55519542
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
2-(cyclopropylmethylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119837781
N-[2-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 55649335
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 97196259
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 126454901
1-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119837797
1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The IUPAC name of 1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea (CID 97071225) is 1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea.
What is the SMILES notation for 1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The canonical SMILES for 1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea is Cc1ccc([C@@H](CNC(=O)N(C)C2CCC2)N2CCOCC2)o1.
What is the InChIKey of 1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The InChIKey is FCQUFGZDFSHOHK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-13-6-7-16(23-13)15(20-8-10-22-11-9-20)12-18-17(21)19(2)14-4-3-5-14/h6-7,14-15H,3-5,8-12H2,1-2H3,(H,18,21)/t15-/m1/s1.
What are the key properties of 1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea has a molecular weight of 321.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea is sourced from PubChem (CID 97071225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).