N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide

C18H24N2O2 — CID 111459680

IUPACN-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCC3CCCC(O)C3)c[nH]c2c1
InChIInChI=1S/C18H24N2O2/c1-12-5-6-16-14(11-19-17(16)7-12)9-18(22)20-10-13-3-2-4-15(21)8-13/h5-7,11,13,15,19,21H,2-4,8-10H2,1H3,(H,20,22)
InChIKeyBEDLTUZIHGYRSB-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.69
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide

N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide (PubChem CID 111459680) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
PubChem CID111459680
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCC3CCCC(O)C3)c[nH]c2c1
InChIInChI=1S/C18H24N2O2/c1-12-5-6-16-14(11-19-17(16)7-12)9-18(22)20-10-13-3-2-4-15(21)8-13/h5-7,11,13,15,19,21H,2-4,8-10H2,1H3,(H,20,22)
InChIKeyBEDLTUZIHGYRSB-UHFFFAOYSA-N
XLogP2.69
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide (CID 111459680) is N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide is Cc1ccc2c(CC(=O)NCC3CCCC(O)C3)c[nH]c2c1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide?
The InChIKey is BEDLTUZIHGYRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-5-6-16-14(11-19-17(16)7-12)9-18(22)20-10-13-3-2-4-15(21)8-13/h5-7,11,13,15,19,21H,2-4,8-10H2,1H3,(H,20,22).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide?
N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide has a molecular weight of 300.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 111459680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).