3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea

C20H29FN4O — CID 91432534

IUPAC3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea
SMILESCCCN(C[C@@H]1C[C@H]1c1c[nH]c2ccc(F)cc12)C(=O)NCCNCC
InChIInChI=1S/C20H29FN4O/c1-3-9-25(20(26)23-8-7-22-4-2)13-14-10-16(14)18-12-24-19-6-5-15(21)11-17(18)19/h5-6,11-12,14,16,22,24H,3-4,7-10,13H2,1-2H3,(H,23,26)/t14-,16+/m0/s1
InChIKeyGLTPOIGRJCBJCM-GOEBONIOSA-N
MW360.48 g/mol
LogP3.44
Rot. Bonds9

About 3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea

3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea (PubChem CID 91432534) has the molecular formula C20H29FN4O and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea.

Molecular Properties

Compound Name3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea
PubChem CID91432534
Molecular FormulaC20H29FN4O
Molecular Weight360.48 g/mol
Exact Mass360.23
IUPAC Name3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea
SMILESCCCN(C[C@@H]1C[C@H]1c1c[nH]c2ccc(F)cc12)C(=O)NCCNCC
InChIInChI=1S/C20H29FN4O/c1-3-9-25(20(26)23-8-7-22-4-2)13-14-10-16(14)18-12-24-19-6-5-15(21)11-17(18)19/h5-6,11-12,14,16,22,24H,3-4,7-10,13H2,1-2H3,(H,23,26)/t14-,16+/m0/s1
InChIKeyGLTPOIGRJCBJCM-GOEBONIOSA-N
XLogP3.44
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea?
The IUPAC name of 3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea (CID 91432534) is 3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea.
What is the SMILES notation for 3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea?
The canonical SMILES for 3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea is CCCN(C[C@@H]1C[C@H]1c1c[nH]c2ccc(F)cc12)C(=O)NCCNCC.
What is the InChIKey of 3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea?
The InChIKey is GLTPOIGRJCBJCM-GOEBONIOSA-N. The full InChI is InChI=1S/C20H29FN4O/c1-3-9-25(20(26)23-8-7-22-4-2)13-14-10-16(14)18-12-24-19-6-5-15(21)11-17(18)19/h5-6,11-12,14,16,22,24H,3-4,7-10,13H2,1-2H3,(H,23,26)/t14-,16+/m0/s1.
What are the key properties of 3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea?
3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea has a molecular weight of 360.48 g/mol, XLogP of 3.44, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea is sourced from PubChem (CID 91432534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).