1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea

C19H30N4O — CID 124726945

IUPAC1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
SMILESCCN(C(=O)NCCc1c[nH]c2c(C)cccc12)[C@@H](C)CN(C)C
InChIInChI=1S/C19H30N4O/c1-6-23(15(3)13-22(4)5)19(24)20-11-10-16-12-21-18-14(2)8-7-9-17(16)18/h7-9,12,15,21H,6,10-11,13H2,1-5H3,(H,20,24)/t15-/m0/s1
InChIKeyCLBVJUIRKNGLDK-HNNXBMFYSA-N
MW330.48 g/mol
LogP3.00
Rot. Bonds7

About 1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea

1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 124726945) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID124726945
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
SMILESCCN(C(=O)NCCc1c[nH]c2c(C)cccc12)[C@@H](C)CN(C)C
InChIInChI=1S/C19H30N4O/c1-6-23(15(3)13-22(4)5)19(24)20-11-10-16-12-21-18-14(2)8-7-9-17(16)18/h7-9,12,15,21H,6,10-11,13H2,1-5H3,(H,20,24)/t15-/m0/s1
InChIKeyCLBVJUIRKNGLDK-HNNXBMFYSA-N
XLogP3.00
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-[(2R)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]urea
CID 124743065
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111506685
1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111507161
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine
CID 111781710
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111781702
1-[(2R)-1-(dimethylamino)propan-2-yl]-3-[2-(1,6-dimethylindol-3-yl)ethyl]-1-ethylurea
CID 124842787
5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid
CID 167925600
1-[2-(7-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111808945
N-[2-(7-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119322310
3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 119951412
(2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119322305

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea (CID 124726945) is 1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea is CCN(C(=O)NCCc1c[nH]c2c(C)cccc12)[C@@H](C)CN(C)C.
What is the InChIKey of 1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is CLBVJUIRKNGLDK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-6-23(15(3)13-22(4)5)19(24)20-11-10-16-12-21-18-14(2)8-7-9-17(16)18/h7-9,12,15,21H,6,10-11,13H2,1-5H3,(H,20,24)/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea?
1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 330.48 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 124726945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).