1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea

C18H27FN4O — CID 124743065

IUPAC1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea
SMILESCCN(C(=O)NCCc1c[nH]c2ccc(F)cc12)[C@H](C)CN(C)C
InChIInChI=1S/C18H27FN4O/c1-5-23(13(2)12-22(3)4)18(24)20-9-8-14-11-21-17-7-6-15(19)10-16(14)17/h6-7,10-11,13,21H,5,8-9,12H2,1-4H3,(H,20,24)/t13-/m1/s1
InChIKeyYPFLHLZMINLSLQ-CYBMUJFWSA-N
MW334.44 g/mol
LogP2.83
Rot. Bonds7

About 1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea

1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea (PubChem CID 124743065) has the molecular formula C18H27FN4O and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea
PubChem CID124743065
Molecular FormulaC18H27FN4O
Molecular Weight334.44 g/mol
Exact Mass334.22
IUPAC Name1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea
SMILESCCN(C(=O)NCCc1c[nH]c2ccc(F)cc12)[C@H](C)CN(C)C
InChIInChI=1S/C18H27FN4O/c1-5-23(13(2)12-22(3)4)18(24)20-9-8-14-11-21-17-7-6-15(19)10-16(14)17/h6-7,10-11,13,21H,5,8-9,12H2,1-4H3,(H,20,24)/t13-/m1/s1
InChIKeyYPFLHLZMINLSLQ-CYBMUJFWSA-N
XLogP2.83
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 124726945
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
3-[[N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111972408
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111972663
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
1-[3-(diethylamino)propyl]-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 111972056
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 4973985
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 56791805
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377005

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea (CID 124743065) is 1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea is CCN(C(=O)NCCc1c[nH]c2ccc(F)cc12)[C@H](C)CN(C)C.
What is the InChIKey of 1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea?
The InChIKey is YPFLHLZMINLSLQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27FN4O/c1-5-23(13(2)12-22(3)4)18(24)20-9-8-14-11-21-17-7-6-15(19)10-16(14)17/h6-7,10-11,13,21H,5,8-9,12H2,1-4H3,(H,20,24)/t13-/m1/s1.
What are the key properties of 1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea?
1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea has a molecular weight of 334.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 124743065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).