1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

C18H29N4O4S+ — CID 8787889

IUPAC1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
SMILESCCOc1ccc(C(=O)NNC(=S)NCCC[NH+]2CCOCC2)cc1OC
InChIInChI=1S/C18H28N4O4S/c1-3-26-15-6-5-14(13-16(15)24-2)17(23)20-21-18(27)19-7-4-8-22-9-11-25-12-10-22/h5-6,13H,3-4,7-12H2,1-2H3,(H,20,23)(H2,19,21,27)/p+1
InChIKeyFTWGLCAZRVNHMX-UHFFFAOYSA-O
MW397.52 g/mol
LogP-0.49
Rot. Bonds8

About 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea (PubChem CID 8787889) has the molecular formula C18H29N4O4S+ and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
PubChem CID8787889
Molecular FormulaC18H29N4O4S+
Molecular Weight397.52 g/mol
Exact Mass397.19
IUPAC Name1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
SMILESCCOc1ccc(C(=O)NNC(=S)NCCC[NH+]2CCOCC2)cc1OC
InChIInChI=1S/C18H28N4O4S/c1-3-26-15-6-5-14(13-16(15)24-2)17(23)20-21-18(27)19-7-4-8-22-9-11-25-12-10-22/h5-6,13H,3-4,7-12H2,1-2H3,(H,20,23)(H2,19,21,27)/p+1
InChIKeyFTWGLCAZRVNHMX-UHFFFAOYSA-O
XLogP-0.49
TPSA85.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea 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-chlorobenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 8730957
1-[(3,4-dimethoxybenzoyl)amino]-3-(3-methylsulfanylpropyl)thiourea
CID 8625064
1-[(2-hydroxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CID 2109384
1-[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8768103
1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(4-ethylphenyl)thiourea
CID 8683261
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
1-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-3-(3-methylsulfanylpropyl)thiourea
CID 8788698
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
3,4-dimethoxy-N-(pentylcarbamothioyl)benzamide
CID 18822911
N-ethyl-2-[2-methoxy-4-[(Z)-(2-morpholin-4-ium-4-ylethylcarbamothioylhydrazinylidene)methyl]phenoxy]acetamide
CID 7934102
N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 8901422
N'-(4-ethoxy-3-methoxybenzoyl)-5-methylfuran-2-carbohydrazide
CID 25440674

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea?
The IUPAC name of 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea (CID 8787889) is 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea.
What is the SMILES notation for 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea?
The canonical SMILES for 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea is CCOc1ccc(C(=O)NNC(=S)NCCC[NH+]2CCOCC2)cc1OC.
What is the InChIKey of 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea?
The InChIKey is FTWGLCAZRVNHMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N4O4S/c1-3-26-15-6-5-14(13-16(15)24-2)17(23)20-21-18(27)19-7-4-8-22-9-11-25-12-10-22/h5-6,13H,3-4,7-12H2,1-2H3,(H,20,23)(H2,19,21,27)/p+1.
What are the key properties of 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea?
1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea has a molecular weight of 397.52 g/mol, XLogP of -0.49, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxy-3-methoxybenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea is sourced from PubChem (CID 8787889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).