1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea

C23H34N4O3 — CID 78879846

IUPAC1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
SMILESCc1ccc(C(CNC(=O)NCC(Cc2ccccc2)N(C)C)N2CCOCC2)o1
InChIInChI=1S/C23H34N4O3/c1-18-9-10-22(30-18)21(27-11-13-29-14-12-27)17-25-23(28)24-16-20(26(2)3)15-19-7-5-4-6-8-19/h4-10,20-21H,11-17H2,1-3H3,(H2,24,25,28)
InChIKeyIOMYKOUDQOVREH-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.43
Rot. Bonds9

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

1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea (PubChem CID 78879846) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
PubChem CID78879846
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
SMILESCc1ccc(C(CNC(=O)NCC(Cc2ccccc2)N(C)C)N2CCOCC2)o1
InChIInChI=1S/C23H34N4O3/c1-18-9-10-22(30-18)21(27-11-13-29-14-12-27)17-25-23(28)24-16-20(26(2)3)15-19-7-5-4-6-8-19/h4-10,20-21H,11-17H2,1-3H3,(H2,24,25,28)
InChIKeyIOMYKOUDQOVREH-UHFFFAOYSA-N
XLogP2.43
TPSA69.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenylurea
CID 30089006
2-(N-methylanilino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 55759392
1-(3-ethylphenyl)-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 86987253
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-phenylsulfanylacetamide
CID 134039005
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenoxypropanamide
CID 95577240
1-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-pyridin-2-ylurea
CID 51083980
1-[2-(dimethylamino)-3-phenylpropyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 78879514
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide
CID 51283099
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
1-cyclobutyl-1-methyl-3-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 97071225
1-(4-fluorophenyl)-3-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea
CID 30037330
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea (CID 78879846) is 1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea is Cc1ccc(C(CNC(=O)NCC(Cc2ccccc2)N(C)C)N2CCOCC2)o1.
What is the InChIKey of 1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
The InChIKey is IOMYKOUDQOVREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-18-9-10-22(30-18)21(27-11-13-29-14-12-27)17-25-23(28)24-16-20(26(2)3)15-19-7-5-4-6-8-19/h4-10,20-21H,11-17H2,1-3H3,(H2,24,25,28).
What are the key properties of 1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea?
1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea has a molecular weight of 414.55 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3-phenylpropyl]-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]urea is sourced from PubChem (CID 78879846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).