N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide

C19H25N3O3 — CID 58808394

IUPACN-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NCCO)cc2ccccc21
InChIInChI=1S/C19H25N3O3/c1-22-16-9-5-2-6-13(16)12-17(22)19(25)21-15-8-4-3-7-14(15)18(24)20-10-11-23/h2,5-6,9,12,14-15,23H,3-4,7-8,10-11H2,1H3,(H,20,24)(H,21,25)/t14-,15+/m1/s1
InChIKeyNTSHWZPXFKPOPN-CABCVRRESA-N
MW343.43 g/mol
LogP1.58
Rot. Bonds5

About N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide

N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide (PubChem CID 58808394) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide
PubChem CID58808394
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NCCO)cc2ccccc21
InChIInChI=1S/C19H25N3O3/c1-22-16-9-5-2-6-13(16)12-17(22)19(25)21-15-8-4-3-7-14(15)18(24)20-10-11-23/h2,5-6,9,12,14-15,23H,3-4,7-8,10-11H2,1H3,(H,20,24)(H,21,25)/t14-,15+/m1/s1
InChIKeyNTSHWZPXFKPOPN-CABCVRRESA-N
XLogP1.58
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide (CID 58808394) is N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide is Cn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NCCO)cc2ccccc21.
What is the InChIKey of N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide?
The InChIKey is NTSHWZPXFKPOPN-CABCVRRESA-N. The full InChI is InChI=1S/C19H25N3O3/c1-22-16-9-5-2-6-13(16)12-17(22)19(25)21-15-8-4-3-7-14(15)18(24)20-10-11-23/h2,5-6,9,12,14-15,23H,3-4,7-8,10-11H2,1H3,(H,20,24)(H,21,25)/t14-,15+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide?
N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(2-hydroxyethylcarbamoyl)cyclohexyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 58808394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).