N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide

C14H18N2O3 — CID 102712770

IUPACN-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCC(O)CCN(C)C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C14H18N2O3/c1-9(17)5-6-16(2)14(19)11-4-3-10-8-13(18)15-12(10)7-11/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyDPBSBBAWMNLQCS-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.02
Rot. Bonds4

About N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide

N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 102712770) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID102712770
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCC(O)CCN(C)C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C14H18N2O3/c1-9(17)5-6-16(2)14(19)11-4-3-10-8-13(18)15-12(10)7-11/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,15,18)
InChIKeyDPBSBBAWMNLQCS-UHFFFAOYSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-oxo-N-pentan-2-yl-1,3-dihydroindole-6-carboxamide
CID 102711803
N-(3-amino-4-methylpentyl)-N-methyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102711691
N,N-bis(2-methylpropyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712015
N-methyl-N-(3-methylbutan-2-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711796
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712580
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712447
N-cyclopropyl-2-oxo-N-propyl-1,3-dihydroindole-6-carboxamide
CID 102712009
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712082
N-ethyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712066
N-(2-amino-2-oxoethyl)-N-ethyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 103103778
N-cyclopropyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711793
2-methyl-2-[methyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]propanoic acid
CID 102710704

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide (CID 102712770) is N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide is CC(O)CCN(C)C(=O)c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is DPBSBBAWMNLQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(17)5-6-16(2)14(19)11-4-3-10-8-13(18)15-12(10)7-11/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,15,18).
What are the key properties of N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102712770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).