1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea

C19H31N3OS — CID 10383204

IUPAC1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea
SMILESCN(CCOCCNC(=S)NC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C19H31N3OS/c1-22(16-17-8-4-2-5-9-17)13-15-23-14-12-20-19(24)21-18-10-6-3-7-11-18/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3,(H2,20,21,24)
InChIKeyTWNJMCYHYFBDME-UHFFFAOYSA-N
MW349.54 g/mol
LogP2.93
Rot. Bonds9

About 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea

1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea (PubChem CID 10383204) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea.

Molecular Properties

Compound Name1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea
PubChem CID10383204
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC Name1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea
SMILESCN(CCOCCNC(=S)NC1CCCCC1)Cc1ccccc1
InChIInChI=1S/C19H31N3OS/c1-22(16-17-8-4-2-5-9-17)13-15-23-14-12-20-19(24)21-18-10-6-3-7-11-18/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3,(H2,20,21,24)
InChIKeyTWNJMCYHYFBDME-UHFFFAOYSA-N
XLogP2.93
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea 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

1,1-Dibenzyl-3-prop-2-en-1-ylthiourea
CID 1552103
1-Benzyl-3-cyclohexyl-1-propan-2-ylthiourea
CID 714760
N4-Phenethylmorpholine-4-carbothioamide
CID 2725328
N-benzyl-N'-(2-hydroxyethyl)thiourea
CID 2731003
1-Cyclohexyl-3-(1-phenylethyl)thiourea
CID 2788079
N-(2-methoxyethyl)-4-(3-phenyl-2-propen-1-yl)-1-piperazinecarbothioamide
CID 2170847
N-(Diphenylmethyl)-N-methyl-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 3396611
ethyl N-{[benzyl(2-fluorobenzyl)amino]carbonothioyl}glycinate
CID 4185011
1-Cyclohexyl-3-(4-methylbenzyl)thiourea
CID 4646958
5-Benzyl-1-(3-ethoxypropyl)-1,3,5-triazinane-2-thione
CID 1861041
5-Benzyl-1-(3-methoxypropyl)-1,3,5-triazinane-2-thione
CID 1865887
1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 800645

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea?
The IUPAC name of 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea (CID 10383204) is 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea.
What is the SMILES notation for 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea?
The canonical SMILES for 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea is CN(CCOCCNC(=S)NC1CCCCC1)Cc1ccccc1.
What is the InChIKey of 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea?
The InChIKey is TWNJMCYHYFBDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-22(16-17-8-4-2-5-9-17)13-15-23-14-12-20-19(24)21-18-10-6-3-7-11-18/h2,4-5,8-9,18H,3,6-7,10-16H2,1H3,(H2,20,21,24).
What are the key properties of 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea?
1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea has a molecular weight of 349.54 g/mol, XLogP of 2.93, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[benzyl(methyl)amino]ethoxy]ethyl]-3-cyclohexylthiourea is sourced from PubChem (CID 10383204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).