1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea

C15H23N3O3S — CID 8768164

IUPAC1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea
SMILESCCCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1
InChIInChI=1S/C15H23N3O3S/c1-4-10-16-15(22)18-17-14(19)11(3)21-13-8-6-12(7-9-13)20-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,19)(H2,16,18,22)/t11-/m1/s1
InChIKeyUOPQSEXKNSUJAO-LLVKDONJSA-N
MW325.43 g/mol
LogP1.76
Rot. Bonds7

About 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea

1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea (PubChem CID 8768164) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea.

Molecular Properties

Compound Name1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea
PubChem CID8768164
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea
SMILESCCCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1
InChIInChI=1S/C15H23N3O3S/c1-4-10-16-15(22)18-17-14(19)11(3)21-13-8-6-12(7-9-13)20-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,19)(H2,16,18,22)/t11-/m1/s1
InChIKeyUOPQSEXKNSUJAO-LLVKDONJSA-N
XLogP1.76
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(3-methylsulfanylpropyl)thiourea
CID 8768211
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea
CID 8679739
1-[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8768103
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
1-ethyl-3-[2-(4-fluorophenoxy)propanoylamino]thiourea
CID 17373324
1-[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-nitrophenyl)thiourea
CID 8679781
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343434
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343438
N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
CID 43060076
1-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]-3-[2-(dimethylamino)ethyl]thiourea
CID 8768843
1-(3-chloro-4-fluorophenyl)-3-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]thiourea
CID 8768139
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea?
The IUPAC name of 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea (CID 8768164) is 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea.
What is the SMILES notation for 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea?
The canonical SMILES for 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea is CCCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1.
What is the InChIKey of 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea?
The InChIKey is UOPQSEXKNSUJAO-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-4-10-16-15(22)18-17-14(19)11(3)21-13-8-6-12(7-9-13)20-5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,19)(H2,16,18,22)/t11-/m1/s1.
What are the key properties of 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea?
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea has a molecular weight of 325.43 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea is sourced from PubChem (CID 8768164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).