1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

C22H27N3O2 — CID 112972233

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCC(C)c1ccccc1OCCNC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H27N3O2/c1-16(2)18-7-4-6-10-21(18)27-14-13-24-22(26)23-12-11-17-15-25-20-9-5-3-8-19(17)20/h3-10,15-16,25H,11-14H2,1-2H3,(H2,23,24,26)
InChIKeyABBQALBQJASWSS-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.21
Rot. Bonds8

About 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (PubChem CID 112972233) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
PubChem CID112972233
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCC(C)c1ccccc1OCCNC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H27N3O2/c1-16(2)18-7-4-6-10-21(18)27-14-13-24-22(26)23-12-11-17-15-25-20-9-5-3-8-19(17)20/h3-10,15-16,25H,11-14H2,1-2H3,(H2,23,24,26)
InChIKeyABBQALBQJASWSS-UHFFFAOYSA-N
XLogP4.21
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
1-(3-hydroxy-4-methylpentyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 111503815
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 112972716
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 86992805
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
(2S,3S)-2-[2-(1H-indol-3-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 25427179
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186
4-[2-(2-propan-2-ylphenoxy)ethylcarbamoylamino]butanoic acid
CID 122001770
1-[3-(dimethylamino)propyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972198
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (CID 112972233) is 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is CC(C)c1ccccc1OCCNC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is ABBQALBQJASWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16(2)18-7-4-6-10-21(18)27-14-13-24-22(26)23-12-11-17-15-25-20-9-5-3-8-19(17)20/h3-10,15-16,25H,11-14H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 365.48 g/mol, XLogP of 4.21, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 112972233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).