N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide

C18H26N2O3 — CID 111447607

IUPACN-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCC(C)CC(C)O)ccc21
InChIInChI=1S/C18H26N2O3/c1-4-17(22)20-8-7-14-10-15(5-6-16(14)20)18(23)19-11-12(2)9-13(3)21/h5-6,10,12-13,21H,4,7-9,11H2,1-3H3,(H,19,23)
InChIKeyRTCLYAJDNOTOCE-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.12
Rot. Bonds6

About N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 111447607) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID111447607
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NCC(C)CC(C)O)ccc21
InChIInChI=1S/C18H26N2O3/c1-4-17(22)20-8-7-14-10-15(5-6-16(14)20)18(23)19-11-12(2)9-13(3)21/h5-6,10,12-13,21H,4,7-9,11H2,1-3H3,(H,19,23)
InChIKeyRTCLYAJDNOTOCE-UHFFFAOYSA-N
XLogP2.12
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-morpholin-4-ylbutyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55788763
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
N-(2-hydroxy-2,5-dimethylhexyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111485199
N-[(1-hydroxycyclohexyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111446079
N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55786918
N-[[4-(diethylaminomethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46490523
N-[(6-methyl-2-pyridinyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 87041730
1-acetyl-N-[(2S)-2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]-2,3-dihydroindole-5-carboxamide
CID 97086803
N-[2-(4-chlorophenyl)sulfanylethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55790102
N-[2-(4-nitroanilino)ethyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55788549
1-(2-methylbutylcarbamoyl)-2,3-dihydroindole-5-carboxylic acid
CID 62691645

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 111447607) is N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)NCC(C)CC(C)O)ccc21.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is RTCLYAJDNOTOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-17(22)20-8-7-14-10-15(5-6-16(14)20)18(23)19-11-12(2)9-13(3)21/h5-6,10,12-13,21H,4,7-9,11H2,1-3H3,(H,19,23).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 111447607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).