N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide

C21H31N3O — CID 95761685

IUPACN-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NC[C@H](C3CCCCC3)N(C)C)cc2c1C
InChIInChI=1S/C21H31N3O/c1-14-15(2)23-19-11-10-17(12-18(14)19)21(25)22-13-20(24(3)4)16-8-6-5-7-9-16/h10-12,16,20,23H,5-9,13H2,1-4H3,(H,22,25)/t20-/m1/s1
InChIKeyZFJSZMVSWPRNGK-HXUWFJFHSA-N
MW341.50 g/mol
LogP4.03
Rot. Bonds5

About N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 95761685) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID95761685
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC NameN-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NC[C@H](C3CCCCC3)N(C)C)cc2c1C
InChIInChI=1S/C21H31N3O/c1-14-15(2)23-19-11-10-17(12-18(14)19)21(25)22-13-20(24(3)4)16-8-6-5-7-9-16/h10-12,16,20,23H,5-9,13H2,1-4H3,(H,22,25)/t20-/m1/s1
InChIKeyZFJSZMVSWPRNGK-HXUWFJFHSA-N
XLogP4.03
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43002218
N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 20939988
N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 60732092
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 4827380
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
CID 115766234
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
2,3-dimethyl-N-[2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-5-carboxamide
CID 71936714
N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 48503245
4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-2-methylbutanoic acid
CID 80537291

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 95761685) is N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NC[C@H](C3CCCCC3)N(C)C)cc2c1C.
What is the InChIKey of N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is ZFJSZMVSWPRNGK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H31N3O/c1-14-15(2)23-19-11-10-17(12-18(14)19)21(25)22-13-20(24(3)4)16-8-6-5-7-9-16/h10-12,16,20,23H,5-9,13H2,1-4H3,(H,22,25)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 95761685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).