3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea

C16H23N3O — CID 110427865

IUPAC3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCc1ccc2c(c1)cc(C)n2C
InChIInChI=1S/C16H23N3O/c1-5-19(6-2)16(20)17-11-13-7-8-15-14(10-13)9-12(3)18(15)4/h7-10H,5-6,11H2,1-4H3,(H,17,20)
InChIKeyVSWSEPYDLOGIBC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.04
Rot. Bonds4

About 3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea

3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea (PubChem CID 110427865) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea
PubChem CID110427865
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)NCc1ccc2c(c1)cc(C)n2C
InChIInChI=1S/C16H23N3O/c1-5-19(6-2)16(20)17-11-13-7-8-15-14(10-13)9-12(3)18(15)4/h7-10H,5-6,11H2,1-4H3,(H,17,20)
InChIKeyVSWSEPYDLOGIBC-UHFFFAOYSA-N
XLogP3.04
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]propanamide
CID 7141272
N-[(1,2-dimethylindol-5-yl)methyl]-3-methylbutanamide
CID 3239976
N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 5175509
4-(dimethylamino)-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 110668205
N-[(1,2-dimethylindol-5-yl)methyl]thiophene-2-carboxamide
CID 3245460
2-bromo-N-[(1,2-dimethylindol-5-yl)methyl]benzamide
CID 4123208
N-[(1,2-dimethylindol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 3244822
N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide
CID 5080692
3-[(3,4-difluorophenyl)methyl]-1,1-diethylurea
CID 115593148
1,1-diethyl-3-[(4-methoxyphenyl)methyl]urea
CID 2988168
1-[(1,2-dimethylindol-5-yl)methyl]-3-(4-nitrophenyl)thiourea
CID 3261014
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea?
The IUPAC name of 3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea (CID 110427865) is 3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea.
What is the SMILES notation for 3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea?
The canonical SMILES for 3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea is CCN(CC)C(=O)NCc1ccc2c(c1)cc(C)n2C.
What is the InChIKey of 3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea?
The InChIKey is VSWSEPYDLOGIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-19(6-2)16(20)17-11-13-7-8-15-14(10-13)9-12(3)18(15)4/h7-10H,5-6,11H2,1-4H3,(H,17,20).
What are the key properties of 3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea?
3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea has a molecular weight of 273.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-dimethylindol-5-yl)methyl]-1,1-diethylurea is sourced from PubChem (CID 110427865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).