1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea

C30H35N3O — CID 4264317

IUPAC1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea
SMILESCCc1ccc(NC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H35N3O/c1-5-22-12-16-26(17-13-22)32-29(34)33(21-23-10-14-25(15-11-23)30(2,3)4)19-18-24-20-31-28-9-7-6-8-27(24)28/h6-17,20,31H,5,18-19,21H2,1-4H3,(H,32,34)
InChIKeyLELUDJSGVSLEPE-UHFFFAOYSA-N
MW453.63 g/mol
LogP7.30
Rot. Bonds7

About 1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea

1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 4264317) has the molecular formula C30H35N3O and a molecular weight of 453.63 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID4264317
Molecular FormulaC30H35N3O
Molecular Weight453.63 g/mol
Exact Mass453.28
IUPAC Name1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea
SMILESCCc1ccc(NC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H35N3O/c1-5-22-12-16-26(17-13-22)32-29(34)33(21-23-10-14-25(15-11-23)30(2,3)4)19-18-24-20-31-28-9-7-6-8-27(24)28/h6-17,20,31H,5,18-19,21H2,1-4H3,(H,32,34)
InChIKeyLELUDJSGVSLEPE-UHFFFAOYSA-N
XLogP7.30
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.63
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]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

2-[(3-ethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 3285837
1-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea
CID 42725646
1-[2-(1H-indol-3-yl)ethyl]-1-(pyridin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 42695868
N-butyl-4-tert-butyl-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 4066825
N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide
CID 24717568
2-[butyl-[(2S)-2-hydroxypentyl]amino]-N-[(4-tert-butylphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 93116372
N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]-2-[(4-nitrophenyl)carbamoyl-propylamino]acetamide
CID 3256886
N-[(4-tert-butylphenyl)methyl]-2-[[(2S)-2-hydroxy-3-methylbutyl]-propan-2-ylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 93116381
N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2,4-dichloro-N-propylbenzamide
CID 42796119
2-[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3312586
2-[butyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 5122048
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-tert-butyl-N-propan-2-ylbenzamide
CID 4592549

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea (CID 4264317) is 1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea is CCc1ccc(NC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is LELUDJSGVSLEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O/c1-5-22-12-16-26(17-13-22)32-29(34)33(21-23-10-14-25(15-11-23)30(2,3)4)19-18-24-20-31-28-9-7-6-8-27(24)28/h6-17,20,31H,5,18-19,21H2,1-4H3,(H,32,34).
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea?
1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 453.63 g/mol, XLogP of 7.30, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-3-(4-ethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 4264317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).