N-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide

C26H34N2O2 — CID 144960053

IUPACN-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide
SMILESCCn1c(C)cc2c(-c3ccc(C)cc3)c(C(C)OC(C)(C)C)c(C)c(NC=O)c21
InChIInChI=1S/C26H34N2O2/c1-9-28-17(3)14-21-23(20-12-10-16(2)11-13-20)22(19(5)30-26(6,7)8)18(4)24(25(21)28)27-15-29/h10-15,19H,9H2,1-8H3,(H,27,29)
InChIKeyRQEIBIDLRLDGTJ-UHFFFAOYSA-N
MW406.57 g/mol
LogP6.70
Rot. Bonds6

About N-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide

N-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide (PubChem CID 144960053) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide.

Molecular Properties

Compound NameN-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide
PubChem CID144960053
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide
SMILESCCn1c(C)cc2c(-c3ccc(C)cc3)c(C(C)OC(C)(C)C)c(C)c(NC=O)c21
InChIInChI=1S/C26H34N2O2/c1-9-28-17(3)14-21-23(20-12-10-16(2)11-13-20)22(19(5)30-26(6,7)8)18(4)24(25(21)28)27-15-29/h10-15,19H,9H2,1-8H3,(H,27,29)
InChIKeyRQEIBIDLRLDGTJ-UHFFFAOYSA-N
XLogP6.70
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide?
The IUPAC name of N-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide (CID 144960053) is N-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide.
What is the SMILES notation for N-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide?
The canonical SMILES for N-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide is CCn1c(C)cc2c(-c3ccc(C)cc3)c(C(C)OC(C)(C)C)c(C)c(NC=O)c21.
What is the InChIKey of N-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide?
The InChIKey is RQEIBIDLRLDGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-9-28-17(3)14-21-23(20-12-10-16(2)11-13-20)22(19(5)30-26(6,7)8)18(4)24(25(21)28)27-15-29/h10-15,19H,9H2,1-8H3,(H,27,29).
What are the key properties of N-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide?
N-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide has a molecular weight of 406.57 g/mol, XLogP of 6.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-2,6-dimethyl-4-(4-methylphenyl)-5-[1-[(2-methylpropan-2-yl)oxy]ethyl]indol-7-yl]formamide is sourced from PubChem (CID 144960053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).