N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide

C17H24N2O2 — CID 111461060

IUPACN-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCC(O)C(C)C)cc2c1C
InChIInChI=1S/C17H24N2O2/c1-10(2)16(20)7-8-18-17(21)13-5-6-15-14(9-13)11(3)12(4)19-15/h5-6,9-10,16,19-20H,7-8H2,1-4H3,(H,18,21)
InChIKeyMNYPOLBAKDTKHR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.92
Rot. Bonds5

About N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide

N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 111461060) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID111461060
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NCCC(O)C(C)C)cc2c1C
InChIInChI=1S/C17H24N2O2/c1-10(2)16(20)7-8-18-17(21)13-5-6-15-14(9-13)11(3)12(4)19-15/h5-6,9-10,16,19-20H,7-8H2,1-4H3,(H,18,21)
InChIKeyMNYPOLBAKDTKHR-UHFFFAOYSA-N
XLogP2.92
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-2-methylbutanoic acid
CID 80537291
3-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]propanoic acid
CID 29032978
N-(4-aminobutyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 61258712
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
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
2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-3-methylbutanoic acid
CID 43109582
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406
2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
CID 115766234
N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 63836824
N-[2-(4-chlorophenoxy)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 30503002
N-[2-(diethylamino)-2-oxoethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 48503245

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 111461060) is N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NCCC(O)C(C)C)cc2c1C.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is MNYPOLBAKDTKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-10(2)16(20)7-8-18-17(21)13-5-6-15-14(9-13)11(3)12(4)19-15/h5-6,9-10,16,19-20H,7-8H2,1-4H3,(H,18,21).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 111461060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).