1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea

C15H24N2O2S — CID 19583934

IUPAC1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea
SMILESCCOc1ccc(C(C)NC(=S)NCCCOC)cc1
InChIInChI=1S/C15H24N2O2S/c1-4-19-14-8-6-13(7-9-14)12(2)17-15(20)16-10-5-11-18-3/h6-9,12H,4-5,10-11H2,1-3H3,(H2,16,17,20)
InChIKeyIMUPVRXLELUEHK-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.65
Rot. Bonds8

About 1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea

1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea (PubChem CID 19583934) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea.

Molecular Properties

Compound Name1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea
PubChem CID19583934
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea
SMILESCCOc1ccc(C(C)NC(=S)NCCCOC)cc1
InChIInChI=1S/C15H24N2O2S/c1-4-19-14-8-6-13(7-9-14)12(2)17-15(20)16-10-5-11-18-3/h6-9,12H,4-5,10-11H2,1-3H3,(H2,16,17,20)
InChIKeyIMUPVRXLELUEHK-UHFFFAOYSA-N
XLogP2.65
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.65
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'}

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Related Compounds

2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide
CID 81070435
1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
CID 19649785
1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea
CID 12622951
N-[1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206881
1-[(1S)-1-(4-bromophenyl)ethyl]-3-butylthiourea
CID 8677045
1-[1-(4-bromophenyl)ethyl]-3-butylthiourea
CID 78751867
1-(4-ethoxyphenyl)-3-(2-methoxyethyl)thiourea
CID 8620154
1-[(2S)-butan-2-yl]-3-(3-methoxypropyl)thiourea
CID 40553594
1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-ethoxyphenyl)thiourea
CID 19675005
methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate
CID 82344816
1-butyl-3-[(1R)-1-(4-phenylphenyl)ethyl]thiourea
CID 7943701
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea?
The IUPAC name of 1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea (CID 19583934) is 1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea.
What is the SMILES notation for 1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea?
The canonical SMILES for 1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea is CCOc1ccc(C(C)NC(=S)NCCCOC)cc1.
What is the InChIKey of 1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea?
The InChIKey is IMUPVRXLELUEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-19-14-8-6-13(7-9-14)12(2)17-15(20)16-10-5-11-18-3/h6-9,12H,4-5,10-11H2,1-3H3,(H2,16,17,20).
What are the key properties of 1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea?
1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea has a molecular weight of 296.44 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea is sourced from PubChem (CID 19583934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).