N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide

C18H26N2O — CID 63836824

IUPACN-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C18H26N2O/c1-6-14(7-2)13(5)20-18(21)15-8-9-17-16(10-15)11(3)12(4)19-17/h8-10,13-14,19H,6-7H2,1-5H3,(H,20,21)
InChIKeyMVYPDFUDRTUXDA-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.34
Rot. Bonds5

About N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide

N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 63836824) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID63836824
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCC(CC)C(C)NC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C18H26N2O/c1-6-14(7-2)13(5)20-18(21)15-8-9-17-16(10-15)11(3)12(4)19-17/h8-10,13-14,19H,6-7H2,1-5H3,(H,20,21)
InChIKeyMVYPDFUDRTUXDA-UHFFFAOYSA-N
XLogP4.34
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406
2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-3-methylbutanoic acid
CID 43109582
2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43097887
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,3-dimethyl-1H-indole-5-carboxamide;molecular hydrogen
CID 144948492
methyl 2-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-4-methylpentanoate
CID 42910188
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
N-(3-hydroxy-4-methylpentyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 111461060
4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]-2-methylbutanoic acid
CID 80537291
N-(2-amino-2-methylpropyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 115303315
2,3-dimethyl-N-(1-methylcyclobutyl)-1H-indole-5-carboxamide
CID 115766234
N-(3-ethylpentan-2-yl)-4-hydrazinyl-3-methylbenzamide
CID 63838974
3-amino-N-(3-ethylpentan-2-yl)-4-methylbenzamide
CID 63842494

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 63836824) is N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide is CCC(CC)C(C)NC(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is MVYPDFUDRTUXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-6-14(7-2)13(5)20-18(21)15-8-9-17-16(10-15)11(3)12(4)19-17/h8-10,13-14,19H,6-7H2,1-5H3,(H,20,21).
What are the key properties of N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 63836824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).