(1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C21H29FN2O — CID 59992203

IUPAC(1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C21H29FN2O/c1-13(2)17-6-4-14(3)10-19(17)21(25)23-9-8-15-12-24-20-11-16(22)5-7-18(15)20/h5,7,11-14,17,19,24H,4,6,8-10H2,1-3H3,(H,23,25)/t14-,17+,19-/m1/s1
InChIKeyIMZPAALCEQKEPJ-DKSSEZFCSA-N
MW344.47 g/mol
LogP4.67
Rot. Bonds5

About (1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

(1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 59992203) has the molecular formula C21H29FN2O and a molecular weight of 344.47 g/mol. Its IUPAC name is (1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID59992203
Molecular FormulaC21H29FN2O
Molecular Weight344.47 g/mol
Exact Mass344.23
IUPAC Name(1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C21H29FN2O/c1-13(2)17-6-4-14(3)10-19(17)21(25)23-9-8-15-12-24-20-11-16(22)5-7-18(15)20/h5,7,11-14,17,19,24H,4,6,8-10H2,1-3H3,(H,23,25)/t14-,17+,19-/m1/s1
InChIKeyIMZPAALCEQKEPJ-DKSSEZFCSA-N
XLogP4.67
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119706148
N-[2-(2-bromophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831515
trans-(1R,5R)-N-[2-(2-chlorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 67477186
5-methyl-N-(2-phenylethyl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 68625601
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide
CID 119706151
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014659
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 86880894
trimethyl-[2-[2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]phenoxy]ethyl]azanium
CID 167121855
N-[2-[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111887695
(1R,2S,5R)-N-[2-(3-hydroxyphenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992196

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 59992203) is (1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of (1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is IMZPAALCEQKEPJ-DKSSEZFCSA-N. The full InChI is InChI=1S/C21H29FN2O/c1-13(2)17-6-4-14(3)10-19(17)21(25)23-9-8-15-12-24-20-11-16(22)5-7-18(15)20/h5,7,11-14,17,19,24H,4,6,8-10H2,1-3H3,(H,23,25)/t14-,17+,19-/m1/s1.
What are the key properties of (1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
(1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 344.47 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 59992203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).