1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea

C22H30N4O3 — CID 45269972

IUPAC1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESCN(C)c1cccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)c1
InChIInChI=1S/C22H30N4O3/c1-25(2)20-8-3-6-18(16-20)23-22(27)24-19-7-4-9-21(17-19)29-13-5-10-26-11-14-28-15-12-26/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H2,23,24,27)
InChIKeyRPLZDPSMOXZJNK-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.50
Rot. Bonds8

About 1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea

1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea (PubChem CID 45269972) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
PubChem CID45269972
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
SMILESCN(C)c1cccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)c1
InChIInChI=1S/C22H30N4O3/c1-25(2)20-8-3-6-18(16-20)23-22(27)24-19-7-4-9-21(17-19)29-13-5-10-26-11-14-28-15-12-26/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H2,23,24,27)
InChIKeyRPLZDPSMOXZJNK-UHFFFAOYSA-N
XLogP3.50
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 23071856
1-(4-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25014697
1-(3-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25015710
1-(3-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014530
1-Adamantyl-3-(3-(3-morpholinopropoxy)phenyl)urea
CID 25014955
1-(4-Fluoro-3-(3-morpholinopropoxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 25015206
1-(4-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 25015279
N-(4-methoxyphenyl)morpholine-4-carboxamide
CID 321216
4-Morpholineacetamide, N-(3-methoxyphenyl)-
CID 218187
Benzenamine, 3-(3-(4-phenyl-1-piperazinyl)propoxy)-
CID 55413
2-Ethyl-N-(3-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
CID 16018053
1-(2,4-Difluorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
CID 73348918

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea (CID 45269972) is 1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea is CN(C)c1cccc(NC(=O)Nc2cccc(OCCCN3CCOCC3)c2)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
The InChIKey is RPLZDPSMOXZJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-25(2)20-8-3-6-18(16-20)23-22(27)24-19-7-4-9-21(17-19)29-13-5-10-26-11-14-28-15-12-26/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea?
1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea has a molecular weight of 398.51 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea is sourced from PubChem (CID 45269972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).