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

C16H23N3O — CID 113084112

IUPAC1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c1-11(2)19-15(20)18-10-16(3,4)13-9-17-14-8-6-5-7-12(13)14/h5-9,11,17H,10H2,1-4H3,(H2,18,19,20)
InChIKeyYVGIAPZRVALIEJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds4

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

1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea (PubChem CID 113084112) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea
PubChem CID113084112
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCC(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C16H23N3O/c1-11(2)19-15(20)18-10-16(3,4)13-9-17-14-8-6-5-7-12(13)14/h5-9,11,17H,10H2,1-4H3,(H2,18,19,20)
InChIKeyYVGIAPZRVALIEJ-UHFFFAOYSA-N
XLogP3.15
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 115153153
N-[2-(1H-indol-3-yl)-2-methylpropyl]cyclohexanecarboxamide
CID 113084050
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
2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide
CID 113084108
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile
CID 115130659
2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
CID 115121040
1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea
CID 113084219
N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993944
N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195611

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea (CID 113084112) is 1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea is CC(C)NC(=O)NCC(C)(C)c1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea?
The InChIKey is YVGIAPZRVALIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)19-15(20)18-10-16(3,4)13-9-17-14-8-6-5-7-12(13)14/h5-9,11,17H,10H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea?
1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea has a molecular weight of 273.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea is sourced from PubChem (CID 113084112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).