N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide

C16H20N2O3 — CID 102712580

IUPACN-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCN(CCOCC1CC1)C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C16H20N2O3/c1-18(6-7-21-10-11-2-3-11)16(20)13-5-4-12-9-15(19)17-14(12)8-13/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,17,19)
InChIKeyPGOIXCUZDKBQKN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.68
Rot. Bonds6

About N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide

N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide (PubChem CID 102712580) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
PubChem CID102712580
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
SMILESCN(CCOCC1CC1)C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C16H20N2O3/c1-18(6-7-21-10-11-2-3-11)16(20)13-5-4-12-9-15(19)17-14(12)8-13/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,17,19)
InChIKeyPGOIXCUZDKBQKN-UHFFFAOYSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopropylmethoxy)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737388
N-(3-hydroxybutyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712770
N-cyclopropyl-2-oxo-N-propyl-1,3-dihydroindole-6-carboxamide
CID 102712009
N-cyclopentyl-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712002
3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
CID 113349801
N-cyclopropyl-N-(2-hydroxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711793
2-[cyclopropylmethyl-(2-oxo-1,3-dihydroindole-6-carbonyl)amino]acetic acid
CID 102710633
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712447
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-methyl-N-(3-methylbutan-2-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711796
N,N-bis(2-methylpropyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712015

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide (CID 102712580) is N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide is CN(CCOCC1CC1)C(=O)c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
The InChIKey is PGOIXCUZDKBQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18(6-7-21-10-11-2-3-11)16(20)13-5-4-12-9-15(19)17-14(12)8-13/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H,17,19).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide?
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide is sourced from PubChem (CID 102712580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).