[2-(1H-indol-3-yl)-2-methylpropyl]urea

C13H17N3O — CID 115168791

IUPAC[2-(1H-indol-3-yl)-2-methylpropyl]urea
SMILESCC(C)(CNC(N)=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O/c1-13(2,8-16-12(14)17)10-7-15-11-6-4-3-5-9(10)11/h3-7,15H,8H2,1-2H3,(H3,14,16,17)
InChIKeyYQKUEDSNGHWMEV-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.11
Rot. Bonds3

About [2-(1H-indol-3-yl)-2-methylpropyl]urea

[2-(1H-indol-3-yl)-2-methylpropyl]urea (PubChem CID 115168791) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-methylpropyl]urea.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-methylpropyl]urea
PubChem CID115168791
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[2-(1H-indol-3-yl)-2-methylpropyl]urea
SMILESCC(C)(CNC(N)=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H17N3O/c1-13(2,8-16-12(14)17)10-7-15-11-6-4-3-5-9(10)11/h3-7,15H,8H2,1-2H3,(H3,14,16,17)
InChIKeyYQKUEDSNGHWMEV-UHFFFAOYSA-N
XLogP2.11
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 115153153
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea
CID 113084112
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 113084102
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid
CID 115218163
N-[2-(1H-indol-3-yl)-2-methylpropyl]cyclohexanecarboxamide
CID 113084050
2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide
CID 113084108
N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195611
2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
CID 115121040
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole
CID 113084118
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile
CID 115130659
[2-(1-benzofuran-3-yl)-2-methylpropyl]urea
CID 115168850

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-methylpropyl]urea?
The IUPAC name of [2-(1H-indol-3-yl)-2-methylpropyl]urea (CID 115168791) is [2-(1H-indol-3-yl)-2-methylpropyl]urea.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-methylpropyl]urea?
The canonical SMILES for [2-(1H-indol-3-yl)-2-methylpropyl]urea is CC(C)(CNC(N)=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-methylpropyl]urea?
The InChIKey is YQKUEDSNGHWMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2,8-16-12(14)17)10-7-15-11-6-4-3-5-9(10)11/h3-7,15H,8H2,1-2H3,(H3,14,16,17).
What are the key properties of [2-(1H-indol-3-yl)-2-methylpropyl]urea?
[2-(1H-indol-3-yl)-2-methylpropyl]urea has a molecular weight of 231.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-methylpropyl]urea is sourced from PubChem (CID 115168791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).