1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea

C15H21N3O — CID 110749017

IUPAC1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O/c1-3-9-16-15(19)18(2)10-8-12-11-17-14-7-5-4-6-13(12)14/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyPHEIOIQYSWZZLP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.76
Rot. Bonds5

About 1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea

1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea (PubChem CID 110749017) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea
PubChem CID110749017
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea
SMILESCCCNC(=O)N(C)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O/c1-3-9-16-15(19)18(2)10-8-12-11-17-14-7-5-4-6-13(12)14/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyPHEIOIQYSWZZLP-UHFFFAOYSA-N
XLogP2.76
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
CID 82087538
1-[(4-ethylphenyl)methyl]-3-[3-(1H-indol-3-yl)propyl]-1-methylurea
CID 86899684
N'-butyl-N-[2-(1H-indol-3-yl)ethyl]-N'-methyloxamide
CID 108528550
N-[2-(1H-indol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 11493048
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
N-[2-(1H-indol-3-yl)ethyl]-N-methylcyclopentanecarboxamide
CID 110733076
3-cyano-N-[2-(1H-indol-3-yl)ethyl]-N-methylpropanamide
CID 115174014
(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-N-propylpropanamide
CID 27860985
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-phenoxyacetamide
CID 110733086
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-pyridin-4-ylbenzamide
CID 44587808

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea (CID 110749017) is 1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea is CCCNC(=O)N(C)CCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea?
The InChIKey is PHEIOIQYSWZZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-9-16-15(19)18(2)10-8-12-11-17-14-7-5-4-6-13(12)14/h4-7,11,17H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea?
1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea has a molecular weight of 259.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea is sourced from PubChem (CID 110749017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).