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

C21H26N4O3 — CID 87002905

IUPAC1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
SMILESCc1ccc(C(CNC(=O)N(C)Cc2cccc(C#N)c2)N2CCOCC2)o1
InChIInChI=1S/C21H26N4O3/c1-16-6-7-20(28-16)19(25-8-10-27-11-9-25)14-23-21(26)24(2)15-18-5-3-4-17(12-18)13-22/h3-7,12,19H,8-11,14-15H2,1-2H3,(H,23,26)
InChIKeyDIFIKBUVYYHRNK-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.67
Rot. Bonds6

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

1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea (PubChem CID 87002905) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea.

Molecular Properties

Compound Name1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
PubChem CID87002905
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
SMILESCc1ccc(C(CNC(=O)N(C)Cc2cccc(C#N)c2)N2CCOCC2)o1
InChIInChI=1S/C21H26N4O3/c1-16-6-7-20(28-16)19(25-8-10-27-11-9-25)14-23-21(26)24(2)15-18-5-3-4-17(12-18)13-22/h3-7,12,19H,8-11,14-15H2,1-2H3,(H,23,26)
InChIKeyDIFIKBUVYYHRNK-UHFFFAOYSA-N
XLogP2.67
TPSA81.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 97071225
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 78879846
1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86987253
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide
CID 24643832
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55759392
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
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide
CID 51283092

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The IUPAC name of 1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea (CID 87002905) is 1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea.
What is the SMILES notation for 1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The canonical SMILES for 1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea is Cc1ccc(C(CNC(=O)N(C)Cc2cccc(C#N)c2)N2CCOCC2)o1.
What is the InChIKey of 1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The InChIKey is DIFIKBUVYYHRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-16-6-7-20(28-16)19(25-8-10-27-11-9-25)14-23-21(26)24(2)15-18-5-3-4-17(12-18)13-22/h3-7,12,19H,8-11,14-15H2,1-2H3,(H,23,26).
What are the key properties of 1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea has a molecular weight of 382.46 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyanophenyl)methyl]-1-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea is sourced from PubChem (CID 87002905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).