N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide

C32H34FN3O3 — CID 3190749

IUPACN-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(CN(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C32H34FN3O3/c1-39-27-17-11-22(12-18-27)21-36(30(37)19-24-20-34-29-10-6-5-9-28(24)29)31(23-13-15-25(33)16-14-23)32(38)35-26-7-3-2-4-8-26/h5-6,9-18,20,26,31,34H,2-4,7-8,19,21H2,1H3,(H,35,38)
InChIKeySSYSPWDZMSZYLW-UHFFFAOYSA-N
MW527.64 g/mol
LogP6.08
Rot. Bonds9

About N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide

N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide (PubChem CID 3190749) has the molecular formula C32H34FN3O3 and a molecular weight of 527.64 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide
PubChem CID3190749
Molecular FormulaC32H34FN3O3
Molecular Weight527.64 g/mol
Exact Mass527.26
IUPAC NameN-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(CN(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C32H34FN3O3/c1-39-27-17-11-22(12-18-27)21-36(30(37)19-24-20-34-29-10-6-5-9-28(24)29)31(23-13-15-25(33)16-14-23)32(38)35-26-7-3-2-4-8-26/h5-6,9-18,20,26,31,34H,2-4,7-8,19,21H2,1H3,(H,35,38)
InChIKeySSYSPWDZMSZYLW-UHFFFAOYSA-N
XLogP6.08
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.64
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide
CID 25308956
2-[1,3-benzodioxol-5-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 3190751
N-cyclohexyl-2-[4-(dimethylamino)phenyl]-2-[[2-(1H-indol-3-yl)acetyl]-[(2-methoxyphenyl)methyl]amino]acetamide
CID 3190827
(2R)-N-cyclohexyl-2-(4-fluorophenyl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide
CID 1432663
N-cyclopentyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]acetamide
CID 3201979
(2R)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(3-methoxyphenyl)methyl]amino]acetamide
CID 98097762
(2S)-2-(3-acetyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 98097507
(2S)-2-[(2-chlorophenyl)methyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide
CID 98097598
(2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide
CID 25309037
(2R)-2-[1,3-benzodioxol-5-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-[4-(dimethylamino)phenyl]acetamide
CID 98097722
2-[(2-chloroacetyl)-[(4-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 86809790
(2S)-2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(furan-2-yl)acetamide
CID 25309476

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide (CID 3190749) is N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide is COc1ccc(CN(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide?
The InChIKey is SSYSPWDZMSZYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN3O3/c1-39-27-17-11-22(12-18-27)21-36(30(37)19-24-20-34-29-10-6-5-9-28(24)29)31(23-13-15-25(33)16-14-23)32(38)35-26-7-3-2-4-8-26/h5-6,9-18,20,26,31,34H,2-4,7-8,19,21H2,1H3,(H,35,38).
What are the key properties of N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide?
N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide has a molecular weight of 527.64 g/mol, XLogP of 6.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 3190749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).