1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea

C17H27N3O4 — CID 94054450

IUPAC1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea
SMILESCN(Cc1ccco1)C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1
InChIInChI=1S/C17H27N3O4/c1-19(12-15-3-2-7-24-15)17(21)18-11-16(14-4-8-23-13-14)20-5-9-22-10-6-20/h2-3,7,14,16H,4-6,8-13H2,1H3,(H,18,21)/t14-,16-/m1/s1
InChIKeyLHJHUXZNKVSRPD-GDBMZVCRSA-N
MW337.42 g/mol
LogP1.16
Rot. Bonds6

About 1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea

1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea (PubChem CID 94054450) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea
PubChem CID94054450
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Name1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea
SMILESCN(Cc1ccco1)C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1
InChIInChI=1S/C17H27N3O4/c1-19(12-15-3-2-7-24-15)17(21)18-11-16(14-4-8-23-13-14)20-5-9-22-10-6-20/h2-3,7,14,16H,4-6,8-13H2,1H3,(H,18,21)/t14-,16-/m1/s1
InChIKeyLHJHUXZNKVSRPD-GDBMZVCRSA-N
XLogP1.16
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea with MolForge

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Related Compounds

1-ethyl-1-[(3-methylphenyl)methyl]-3-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
CID 94054493
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
CID 111399761
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine;hydroiodide
CID 111399760
1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
CID 52500829
1-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
CID 124840254
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94083431
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
2-methylsulfonyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]benzamide
CID 55642293
1-[cyclopropyl(phenyl)methyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55590697
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
5-ethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94021730

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea?
The IUPAC name of 1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea (CID 94054450) is 1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea?
The canonical SMILES for 1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea is CN(Cc1ccco1)C(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea?
The InChIKey is LHJHUXZNKVSRPD-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-19(12-15-3-2-7-24-15)17(21)18-11-16(14-4-8-23-13-14)20-5-9-22-10-6-20/h2-3,7,14,16H,4-6,8-13H2,1H3,(H,18,21)/t14-,16-/m1/s1.
What are the key properties of 1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea?
1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea has a molecular weight of 337.42 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-1-methyl-3-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]urea is sourced from PubChem (CID 94054450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).