3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea

C32H37N3O3 — CID 42657203

IUPAC3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea
SMILESCOc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)NC2CCCCC2)cc1OCc1ccccc1
InChIInChI=1S/C32H37N3O3/c1-37-30-17-16-25(20-31(30)38-23-24-10-4-2-5-11-24)22-35(32(36)34-27-12-6-3-7-13-27)19-18-26-21-33-29-15-9-8-14-28(26)29/h2,4-5,8-11,14-17,20-21,27,33H,3,6-7,12-13,18-19,22-23H2,1H3,(H,34,36)
InChIKeyIIKUCKFMHGQFCZ-UHFFFAOYSA-N
MW511.67 g/mol
LogP6.84
Rot. Bonds10

About 3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea

3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea (PubChem CID 42657203) has the molecular formula C32H37N3O3 and a molecular weight of 511.67 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea
PubChem CID42657203
Molecular FormulaC32H37N3O3
Molecular Weight511.67 g/mol
Exact Mass511.28
IUPAC Name3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea
SMILESCOc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)NC2CCCCC2)cc1OCc1ccccc1
InChIInChI=1S/C32H37N3O3/c1-37-30-17-16-25(20-31(30)38-23-24-10-4-2-5-11-24)22-35(32(36)34-27-12-6-3-7-13-27)19-18-26-21-33-29-15-9-8-14-28(26)29/h2,4-5,8-11,14-17,20-21,27,33H,3,6-7,12-13,18-19,22-23H2,1H3,(H,34,36)
InChIKeyIIKUCKFMHGQFCZ-UHFFFAOYSA-N
XLogP6.84
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea with MolForge

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Related Compounds

2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772190
4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701759
1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42702059
2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4141578
2-[benzylcarbamoyl(2-methoxyethyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772400
N-[2-[(3,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 24717172
1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 42700123
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
N-cyclopropyl-N-[2-[(3,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2,4-dimethoxybenzamide
CID 5098221
N-[2-[(3,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 42772287
methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate
CID 42697991
N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 42777881

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea?
The IUPAC name of 3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea (CID 42657203) is 3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea?
The canonical SMILES for 3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea is COc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)NC2CCCCC2)cc1OCc1ccccc1.
What is the InChIKey of 3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea?
The InChIKey is IIKUCKFMHGQFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O3/c1-37-30-17-16-25(20-31(30)38-23-24-10-4-2-5-11-24)22-35(32(36)34-27-12-6-3-7-13-27)19-18-26-21-33-29-15-9-8-14-28(26)29/h2,4-5,8-11,14-17,20-21,27,33H,3,6-7,12-13,18-19,22-23H2,1H3,(H,34,36).
What are the key properties of 3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea?
3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea has a molecular weight of 511.67 g/mol, XLogP of 6.84, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea is sourced from PubChem (CID 42657203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).