N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide

C26H32N2O3 — CID 41109175

IUPACN-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide
SMILESCOc1cc(Cn2cc(CC(=O)NC3CCCCCC3)c3ccccc32)cc(OC)c1
InChIInChI=1S/C26H32N2O3/c1-30-22-13-19(14-23(16-22)31-2)17-28-18-20(24-11-7-8-12-25(24)28)15-26(29)27-21-9-5-3-4-6-10-21/h7-8,11-14,16,18,21H,3-6,9-10,15,17H2,1-2H3,(H,27,29)
InChIKeyWINSBJBCJHNNAU-UHFFFAOYSA-N
MW420.55 g/mol
LogP5.09
Rot. Bonds7

About N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide

N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide (PubChem CID 41109175) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide
PubChem CID41109175
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide
SMILESCOc1cc(Cn2cc(CC(=O)NC3CCCCCC3)c3ccccc32)cc(OC)c1
InChIInChI=1S/C26H32N2O3/c1-30-22-13-19(14-23(16-22)31-2)17-28-18-20(24-11-7-8-12-25(24)28)15-26(29)27-21-9-5-3-4-6-10-21/h7-8,11-14,16,18,21H,3-6,9-10,15,17H2,1-2H3,(H,27,29)
InChIKeyWINSBJBCJHNNAU-UHFFFAOYSA-N
XLogP5.09
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-propylacetamide
CID 41109158
N-(2,4-dimethoxyphenyl)-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide
CID 41133307
3-(1-benzylindol-3-yl)-N-cycloheptylpropanamide
CID 4616426
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
CID 41108991
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 71462946
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-[1-[(3-methoxyphenyl)methyl]indol-3-yl]acetic acid
CID 43825861
N-cycloheptyl-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
CID 20900075
2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 16827128
2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41133345
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate
CID 848129
methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate
CID 645611

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide (CID 41109175) is N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide is COc1cc(Cn2cc(CC(=O)NC3CCCCCC3)c3ccccc32)cc(OC)c1.
What is the InChIKey of N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide?
The InChIKey is WINSBJBCJHNNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-30-22-13-19(14-23(16-22)31-2)17-28-18-20(24-11-7-8-12-25(24)28)15-26(29)27-21-9-5-3-4-6-10-21/h7-8,11-14,16,18,21H,3-6,9-10,15,17H2,1-2H3,(H,27,29).
What are the key properties of N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide?
N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide has a molecular weight of 420.55 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]acetamide is sourced from PubChem (CID 41109175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).