N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide

C32H35N3O4 — CID 3190755

IUPACN-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc1OC
InChIInChI=1S/C32H35N3O4/c1-38-28-18-17-22(19-29(28)39-2)31(32(37)34-24-11-5-3-6-12-24)35(25-13-7-4-8-14-25)30(36)20-23-21-33-27-16-10-9-15-26(23)27/h4,7-10,13-19,21,24,31,33H,3,5-6,11-12,20H2,1-2H3,(H,34,37)
InChIKeyYHYAJPHULSOQRA-UHFFFAOYSA-N
MW525.65 g/mol
LogP5.95
Rot. Bonds9

About N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide

N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide (PubChem CID 3190755) has the molecular formula C32H35N3O4 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide
PubChem CID3190755
Molecular FormulaC32H35N3O4
Molecular Weight525.65 g/mol
Exact Mass525.26
IUPAC NameN-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc1OC
InChIInChI=1S/C32H35N3O4/c1-38-28-18-17-22(19-29(28)39-2)31(32(37)34-24-11-5-3-6-12-24)35(25-13-7-4-8-14-25)30(36)20-23-21-33-27-16-10-9-15-26(23)27/h4,7-10,13-19,21,24,31,33H,3,5-6,11-12,20H2,1-2H3,(H,34,37)
InChIKeyYHYAJPHULSOQRA-UHFFFAOYSA-N
XLogP5.95
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide (CID 3190755) is N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide is COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc1OC.
What is the InChIKey of N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide?
The InChIKey is YHYAJPHULSOQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O4/c1-38-28-18-17-22(19-29(28)39-2)31(32(37)34-24-11-5-3-6-12-24)35(25-13-7-4-8-14-25)30(36)20-23-21-33-27-16-10-9-15-26(23)27/h4,7-10,13-19,21,24,31,33H,3,5-6,11-12,20H2,1-2H3,(H,34,37).
What are the key properties of N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide?
N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide has a molecular weight of 525.65 g/mol, XLogP of 5.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide is sourced from PubChem (CID 3190755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).