2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide

C19H24N2O3 — CID 154845653

IUPAC2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCC(=O)c1[nH]c2ccccc2c1C(=O)N(C)CC1CCCCC1O
InChIInChI=1S/C19H24N2O3/c1-12(22)18-17(14-8-4-5-9-15(14)20-18)19(24)21(2)11-13-7-3-6-10-16(13)23/h4-5,8-9,13,16,20,23H,3,6-7,10-11H2,1-2H3
InChIKeyYOYDYONQLBZYTO-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.99
Rot. Bonds4

About 2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide

2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide (PubChem CID 154845653) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide
PubChem CID154845653
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide
SMILESCC(=O)c1[nH]c2ccccc2c1C(=O)N(C)CC1CCCCC1O
InChIInChI=1S/C19H24N2O3/c1-12(22)18-17(14-8-4-5-9-15(14)20-18)19(24)21(2)11-13-7-3-6-10-16(13)23/h4-5,8-9,13,16,20,23H,3,6-7,10-11H2,1-2H3
InChIKeyYOYDYONQLBZYTO-UHFFFAOYSA-N
XLogP2.99
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 109398586
2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 109398298
N-[(2-hydroxycyclohexyl)methyl]-N-methylisoquinoline-1-carboxamide
CID 110003844
5-cyano-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 110003592
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 99578317
N-[2-[(2-hydroxycyclohexyl)methyl-methylamino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 110003663
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 109400298
3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110011834
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-phenylbenzamide
CID 109400318
4-cyclopentyloxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109399951
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
CID 110003438

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide?
The IUPAC name of 2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide (CID 154845653) is 2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for 2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide?
The canonical SMILES for 2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide is CC(=O)c1[nH]c2ccccc2c1C(=O)N(C)CC1CCCCC1O.
What is the InChIKey of 2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide?
The InChIKey is YOYDYONQLBZYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(22)18-17(14-8-4-5-9-15(14)20-18)19(24)21(2)11-13-7-3-6-10-16(13)23/h4-5,8-9,13,16,20,23H,3,6-7,10-11H2,1-2H3.
What are the key properties of 2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide?
2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 154845653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).