1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea

C18H27N3O3S — CID 43076539

IUPAC1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea
SMILESCCOCCCNC(=S)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-2-23-11-3-8-19-18(25)20-16-6-4-15(5-7-16)14-17(22)21-9-12-24-13-10-21/h4-7H,2-3,8-14H2,1H3,(H2,19,20,25)
InChIKeyQNTYSMALNNUQBY-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.80
Rot. Bonds8

About 1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea

1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea (PubChem CID 43076539) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea
PubChem CID43076539
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea
SMILESCCOCCCNC(=S)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O3S/c1-2-23-11-3-8-19-18(25)20-16-6-4-15(5-7-16)14-17(22)21-9-12-24-13-10-21/h4-7H,2-3,8-14H2,1H3,(H2,19,20,25)
InChIKeyQNTYSMALNNUQBY-UHFFFAOYSA-N
XLogP1.80
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea
CID 43076545
1-butyl-3-[4-(morpholine-4-carbonyl)phenyl]thiourea
CID 17283707
1-(2-methylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea
CID 43076552
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
CID 46455504
ethyl 4-(3-ethoxypropylcarbamothioylamino)benzoate
CID 4668305
2-(3-ethoxypropylamino)-1-morpholin-4-ylethanone
CID 28584674
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 120559975
N-(3-ethoxypropyl)-1,4-oxazepane-4-carbothioamide
CID 115597442
2-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 119712509
1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120549290
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide
CID 122144724
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pentylurea
CID 60611963

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea?
The IUPAC name of 1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea (CID 43076539) is 1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea is CCOCCCNC(=S)Nc1ccc(CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea?
The InChIKey is QNTYSMALNNUQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-2-23-11-3-8-19-18(25)20-16-6-4-15(5-7-16)14-17(22)21-9-12-24-13-10-21/h4-7H,2-3,8-14H2,1H3,(H2,19,20,25).
What are the key properties of 1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea?
1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea has a molecular weight of 365.50 g/mol, XLogP of 1.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea is sourced from PubChem (CID 43076539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).