1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea

C23H29N3O2 — CID 112972716

IUPAC1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESCC(C)(C)c1cccc(OCCNC(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H29N3O2/c1-23(2,3)18-7-6-8-19(15-18)28-14-13-25-22(27)24-12-11-17-16-26-21-10-5-4-9-20(17)21/h4-10,15-16,26H,11-14H2,1-3H3,(H2,24,25,27)
InChIKeyWRFHUQDBTMGNBB-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.39
Rot. Bonds7

About 1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea

1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 112972716) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID112972716
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESCC(C)(C)c1cccc(OCCNC(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C23H29N3O2/c1-23(2,3)18-7-6-8-19(15-18)28-14-13-25-22(27)24-12-11-17-16-26-21-10-5-4-9-20(17)21/h4-10,15-16,26H,11-14H2,1-3H3,(H2,24,25,27)
InChIKeyWRFHUQDBTMGNBB-UHFFFAOYSA-N
XLogP4.39
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.39
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-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972233
2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[2-(3-tert-butylphenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112972688
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
1-[2-(1H-indol-3-yl)ethyl]-3-[(4-propylphenoxy)methyl]urea
CID 108879613
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 86992805
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
CID 51118943
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993925

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea (CID 112972716) is 1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea is CC(C)(C)c1cccc(OCCNC(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is WRFHUQDBTMGNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-23(2,3)18-7-6-8-19(15-18)28-14-13-25-22(27)24-12-11-17-16-26-21-10-5-4-9-20(17)21/h4-10,15-16,26H,11-14H2,1-3H3,(H2,24,25,27).
What are the key properties of 1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea?
1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 379.50 g/mol, XLogP of 4.39, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-tert-butylphenoxy)ethyl]-3-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 112972716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).