1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea

C21H25N3O2 — CID 23605243

IUPAC1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea
SMILESCOc1ccc2[nH]cc(CCNC(=O)Nc3ccc(C(C)C)cc3)c2c1
InChIInChI=1S/C21H25N3O2/c1-14(2)15-4-6-17(7-5-15)24-21(25)22-11-10-16-13-23-20-9-8-18(26-3)12-19(16)20/h4-9,12-14,23H,10-11H2,1-3H3,(H2,22,24,25)
InChIKeyWZPFLRKDNXBBCC-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.66
Rot. Bonds6

About 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea

1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 23605243) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea
PubChem CID23605243
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea
SMILESCOc1ccc2[nH]cc(CCNC(=O)Nc3ccc(C(C)C)cc3)c2c1
InChIInChI=1S/C21H25N3O2/c1-14(2)15-4-6-17(7-5-15)24-21(25)22-11-10-16-13-23-20-9-8-18(26-3)12-19(16)20/h4-9,12-14,23H,10-11H2,1-3H3,(H2,22,24,25)
InChIKeyWZPFLRKDNXBBCC-UHFFFAOYSA-N
XLogP4.66
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 17171258
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 71926324
N-(4-bromophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide
CID 177382643
2-amino-3-(1H-indol-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 70147213
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 96534724
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea (CID 23605243) is 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea is COc1ccc2[nH]cc(CCNC(=O)Nc3ccc(C(C)C)cc3)c2c1.
What is the InChIKey of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is WZPFLRKDNXBBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14(2)15-4-6-17(7-5-15)24-21(25)22-11-10-16-13-23-20-9-8-18(26-3)12-19(16)20/h4-9,12-14,23H,10-11H2,1-3H3,(H2,22,24,25).
What are the key properties of 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea?
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 351.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 23605243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).