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

C24H23N3O2 — CID 167843223

IUPAC1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea
SMILESO=C(NCCc1cc2ccccc2[nH]1)NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H23N3O2/c28-24(25-14-13-20-16-19-8-4-5-12-23(19)27-20)26-17-18-7-6-11-22(15-18)29-21-9-2-1-3-10-21/h1-12,15-16,27H,13-14,17H2,(H2,25,26,28)
InChIKeyONMNBKMRJRDEON-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.00
Rot. Bonds7

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

1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea (PubChem CID 167843223) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea
PubChem CID167843223
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea
SMILESO=C(NCCc1cc2ccccc2[nH]1)NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H23N3O2/c28-24(25-14-13-20-16-19-8-4-5-12-23(19)27-20)26-17-18-7-6-11-22(15-18)29-21-9-2-1-3-10-21/h1-12,15-16,27H,13-14,17H2,(H2,25,26,28)
InChIKeyONMNBKMRJRDEON-UHFFFAOYSA-N
XLogP5.00
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 6456936
1-[[4-(aminomethyl)phenyl]methyl]-3-[(3-phenoxyphenyl)methyl]urea
CID 68878464
N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea
CID 75385727
3-[2-(1H-indol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065768
1-[2-(4-methoxyphenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 51290894
4-[3-[2-(1H-indol-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 75516623
1H-indol-2-ylmethylcarbamic acid
CID 68691362
(2S)-2-[(3-phenoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796479
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea
CID 51128772

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea (CID 167843223) is 1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea is O=C(NCCc1cc2ccccc2[nH]1)NCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea?
The InChIKey is ONMNBKMRJRDEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-24(25-14-13-20-16-19-8-4-5-12-23(19)27-20)26-17-18-7-6-11-22(15-18)29-21-9-2-1-3-10-21/h1-12,15-16,27H,13-14,17H2,(H2,25,26,28).
What are the key properties of 1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea?
1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea has a molecular weight of 385.47 g/mol, XLogP of 5.00, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea is sourced from PubChem (CID 167843223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).