1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea

C19H29N5O4 — CID 158422773

IUPAC1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea
SMILESCC(=O)Cc1ccc(NC(=O)NCCNC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C19H29N5O4/c1-15(25)14-16-2-4-17(5-3-16)23-19(27)21-7-6-20-18(26)22-8-9-24-10-12-28-13-11-24/h2-5H,6-14H2,1H3,(H2,20,22,26)(H2,21,23,27)
InChIKeyHARMQMJEXYNHQJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP0.57
Rot. Bonds9

About 1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea

1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea (PubChem CID 158422773) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea
PubChem CID158422773
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC Name1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea
SMILESCC(=O)Cc1ccc(NC(=O)NCCNC(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C19H29N5O4/c1-15(25)14-16-2-4-17(5-3-16)23-19(27)21-7-6-20-18(26)22-8-9-24-10-12-28-13-11-24/h2-5H,6-14H2,1H3,(H2,20,22,26)(H2,21,23,27)
InChIKeyHARMQMJEXYNHQJ-UHFFFAOYSA-N
XLogP0.57
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 22932427
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
1-(4-butylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 2192072
1-N-(4-ethylphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133886
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2-morpholin-4-ylethyl)urea
CID 108873272

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea (CID 158422773) is 1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea is CC(=O)Cc1ccc(NC(=O)NCCNC(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea?
The InChIKey is HARMQMJEXYNHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4/c1-15(25)14-16-2-4-17(5-3-16)23-19(27)21-7-6-20-18(26)22-8-9-24-10-12-28-13-11-24/h2-5H,6-14H2,1H3,(H2,20,22,26)(H2,21,23,27).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea?
1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea has a molecular weight of 391.47 g/mol, XLogP of 0.57, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea is sourced from PubChem (CID 158422773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).