3-(1-methylindol-3-yl)-1,1-dipropylurea

C16H23N3O — CID 40519468

IUPAC3-(1-methylindol-3-yl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1cn(C)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-4-10-19(11-5-2)16(20)17-14-12-18(3)15-9-7-6-8-13(14)15/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyBDLGXRNDPMMTER-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.83
Rot. Bonds5

About 3-(1-methylindol-3-yl)-1,1-dipropylurea

3-(1-methylindol-3-yl)-1,1-dipropylurea (PubChem CID 40519468) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-1,1-dipropylurea.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-1,1-dipropylurea
PubChem CID40519468
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(1-methylindol-3-yl)-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)Nc1cn(C)c2ccccc12
InChIInChI=1S/C16H23N3O/c1-4-10-19(11-5-2)16(20)17-14-12-18(3)15-9-7-6-8-13(14)15/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,20)
InChIKeyBDLGXRNDPMMTER-UHFFFAOYSA-N
XLogP3.83
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N,N-dipropylindole-3-carboxamide
CID 110762474
1-methyl-3-(1-methylindol-3-yl)-1-(1-methylpiperidin-4-yl)urea
CID 16813051
1,1-diethyl-3-(1-ethylindol-3-yl)urea
CID 40519589
1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea
CID 16813050
3-amino-2-methyl-N-(1-methylindol-3-yl)propanamide
CID 115153480
3-(1-ethylindol-3-yl)-1,1-bis(2-methylpropyl)urea
CID 40519593
2-(hydroxymethyl)-3-methyl-N-(1-methylindol-3-yl)butanamide
CID 115187165
4-amino-N-(1-methylindol-3-yl)pentanamide
CID 115156554
3-methyl-4-[(1-methylindol-3-yl)amino]-4-oxobutanoic acid
CID 115164456
4-amino-3-methyl-N-(1-methylindol-3-yl)butanamide
CID 115156223
1-(aminomethyl)-N-(1-methylindol-3-yl)cyclopropane-1-carboxamide
CID 115182529
1-(2-methoxyethyl)-3-naphthalen-1-yl-1-propylurea
CID 3823639

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-1,1-dipropylurea?
The IUPAC name of 3-(1-methylindol-3-yl)-1,1-dipropylurea (CID 40519468) is 3-(1-methylindol-3-yl)-1,1-dipropylurea.
What is the SMILES notation for 3-(1-methylindol-3-yl)-1,1-dipropylurea?
The canonical SMILES for 3-(1-methylindol-3-yl)-1,1-dipropylurea is CCCN(CCC)C(=O)Nc1cn(C)c2ccccc12.
What is the InChIKey of 3-(1-methylindol-3-yl)-1,1-dipropylurea?
The InChIKey is BDLGXRNDPMMTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-10-19(11-5-2)16(20)17-14-12-18(3)15-9-7-6-8-13(14)15/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,20).
What are the key properties of 3-(1-methylindol-3-yl)-1,1-dipropylurea?
3-(1-methylindol-3-yl)-1,1-dipropylurea has a molecular weight of 273.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-1,1-dipropylurea is sourced from PubChem (CID 40519468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).