N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide

C26H32N2O3 — CID 150682988

IUPACN-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)NC3CCCCCC3)cc12
InChIInChI=1S/C26H32N2O3/c1-4-20-21-15-18(26(29)27-19-9-7-5-6-8-10-19)11-13-22(21)28-25(20)17-12-14-23(30-2)24(16-17)31-3/h11-16,19,28H,4-10H2,1-3H3,(H,27,29)
InChIKeyJIGNWDKLUHAGDP-UHFFFAOYSA-N
MW420.55 g/mol
LogP5.87
Rot. Bonds6

About N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide

N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide (PubChem CID 150682988) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide
PubChem CID150682988
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide
SMILESCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)NC3CCCCCC3)cc12
InChIInChI=1S/C26H32N2O3/c1-4-20-21-15-18(26(29)27-19-9-7-5-6-8-10-19)11-13-22(21)28-25(20)17-12-14-23(30-2)24(16-17)31-3/h11-16,19,28H,4-10H2,1-3H3,(H,27,29)
InChIKeyJIGNWDKLUHAGDP-UHFFFAOYSA-N
XLogP5.87
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
5-[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole-2-carboxamide
CID 154640150
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
[2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indol-5-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 155210876
2-(3,4-dimethoxyphenyl)-3-ethyl-N-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-indole-5-carboxamide
CID 154641121
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
N-cyclopentyl-4-iodo-3-methoxybenzamide
CID 155908716

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide?
The IUPAC name of N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide (CID 150682988) is N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide is CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C(=O)NC3CCCCCC3)cc12.
What is the InChIKey of N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide?
The InChIKey is JIGNWDKLUHAGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-4-20-21-15-18(26(29)27-19-9-7-5-6-8-10-19)11-13-22(21)28-25(20)17-12-14-23(30-2)24(16-17)31-3/h11-16,19,28H,4-10H2,1-3H3,(H,27,29).
What are the key properties of N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide?
N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide has a molecular weight of 420.55 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 150682988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).