N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide

C21H31N3O — CID 20939988

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCCN(C)C3CCCCC3)cc2c1C
InChIInChI=1S/C21H31N3O/c1-15-16(2)23-20-11-10-17(14-19(15)20)21(25)22-12-7-13-24(3)18-8-5-4-6-9-18/h10-11,14,18,23H,4-9,12-13H2,1-3H3,(H,22,25)
InChIKeyJOZCKMWRVVBRGG-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.17
Rot. Bonds6

About N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide

N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 20939988) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID20939988
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCCN(C)C3CCCCC3)cc2c1C
InChIInChI=1S/C21H31N3O/c1-15-16(2)23-20-11-10-17(14-19(15)20)21(25)22-12-7-13-24(3)18-8-5-4-6-9-18/h10-11,14,18,23H,4-9,12-13H2,1-3H3,(H,22,25)
InChIKeyJOZCKMWRVVBRGG-UHFFFAOYSA-N
XLogP4.17
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154
N-(2-cyclopentylethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 60732092
N-(cyclohexylmethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 43002218
N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 95761685
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 102684977
N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 61258712
N-[3-[cyclohexyl(methyl)amino]propyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763751
N-[5-[cyclohexyl(methyl)amino]pentyl]-3,4-difluorobenzamide
CID 110445656
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139
N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
CID 110444026
2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
CID 53137814

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide (CID 20939988) is N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCCCN(C)C3CCCCC3)cc2c1C.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is JOZCKMWRVVBRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-15-16(2)23-20-11-10-17(14-19(15)20)21(25)22-12-7-13-24(3)18-8-5-4-6-9-18/h10-11,14,18,23H,4-9,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 20939988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).