N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide

C32H35N3O4 — CID 3190799

IUPACN-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2cccc(OC)c2)c1
InChIInChI=1S/C32H35N3O4/c1-38-26-14-8-10-22(18-26)31(32(37)34-24-11-4-3-5-12-24)35(25-13-9-15-27(20-25)39-2)30(36)19-23-21-33-29-17-7-6-16-28(23)29/h6-10,13-18,20-21,24,31,33H,3-5,11-12,19H2,1-2H3,(H,34,37)
InChIKeyXWEFEXRVGRELID-UHFFFAOYSA-N
MW525.65 g/mol
LogP5.95
Rot. Bonds9

About N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide

N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide (PubChem CID 3190799) has the molecular formula C32H35N3O4 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide
PubChem CID3190799
Molecular FormulaC32H35N3O4
Molecular Weight525.65 g/mol
Exact Mass525.26
IUPAC NameN-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2cccc(OC)c2)c1
InChIInChI=1S/C32H35N3O4/c1-38-26-14-8-10-22(18-26)31(32(37)34-24-11-4-3-5-12-24)35(25-13-9-15-27(20-25)39-2)30(36)19-23-21-33-29-17-7-6-16-28(23)29/h6-10,13-18,20-21,24,31,33H,3-5,11-12,19H2,1-2H3,(H,34,37)
InChIKeyXWEFEXRVGRELID-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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Related Compounds

(2S)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 98097673
(2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 98097675
(2R)-N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methoxyanilino)-2-(3-methoxyphenyl)acetamide
CID 25309029
(2S)-2-(3-acetyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 98097507
(2S)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]anilino)acetamide
CID 40785913
(2S)-N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-3,5-dimethoxyanilino)acetamide
CID 98097765
ethyl 3-[[(1S)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-[2-(1H-indol-3-yl)acetyl]amino]benzoate
CID 98097578
(2R)-N-cyclohexyl-2-(3-ethoxy-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-thiophen-2-ylacetamide
CID 25309369
N-cyclohexyl-2-(4-hydroxy-3-methoxyphenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-propan-2-ylanilino)acetamide
CID 122437270
(2R)-N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-(thiophen-2-ylmethyl)amino]-2-(3-methoxyphenyl)acetamide
CID 25309037
2-[1,3-benzodioxol-5-yl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-phenylacetamide
CID 3190705
N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3,4-dimethoxyanilino)-2-(4-methoxy-2,3-dimethylphenyl)acetamide
CID 122607442

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide (CID 3190799) is N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide is COc1cccc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2cccc(OC)c2)c1.
What is the InChIKey of N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide?
The InChIKey is XWEFEXRVGRELID-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O4/c1-38-26-14-8-10-22(18-26)31(32(37)34-24-11-4-3-5-12-24)35(25-13-9-15-27(20-25)39-2)30(36)19-23-21-33-29-17-7-6-16-28(23)29/h6-10,13-18,20-21,24,31,33H,3-5,11-12,19H2,1-2H3,(H,34,37).
What are the key properties of N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide?
N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)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-(N-[2-(1H-indol-3-yl)acetyl]-3-methoxyanilino)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 3190799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).