N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide

C16H22N2O3 — CID 20954507

IUPACN-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)N1c2ccccc2CC1C(=O)NCCCOC
InChIInChI=1S/C16H22N2O3/c1-3-15(19)18-13-8-5-4-7-12(13)11-14(18)16(20)17-9-6-10-21-2/h4-5,7-8,14H,3,6,9-11H2,1-2H3,(H,17,20)
InChIKeyWDUAUGXQKRCJMZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.51
Rot. Bonds6

About N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide

N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide (PubChem CID 20954507) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
PubChem CID20954507
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)N1c2ccccc2CC1C(=O)NCCCOC
InChIInChI=1S/C16H22N2O3/c1-3-15(19)18-13-8-5-4-7-12(13)11-14(18)16(20)17-9-6-10-21-2/h4-5,7-8,14H,3,6,9-11H2,1-2H3,(H,17,20)
InChIKeyWDUAUGXQKRCJMZ-UHFFFAOYSA-N
XLogP1.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.51
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

1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954539
N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954495
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954540
N-(3-methoxypropyl)-2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109133248
N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954542
N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954482
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390
(2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 94853705
1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 43359821
1-benzoyl-N-(3-propylsulfanylpropyl)-2,3-dihydroindole-2-carboxamide
CID 20954717
methyl (2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylate;hydrate
CID 86585807
1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954459

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide (CID 20954507) is N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide is CCC(=O)N1c2ccccc2CC1C(=O)NCCCOC.
What is the InChIKey of N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is WDUAUGXQKRCJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-15(19)18-13-8-5-4-7-12(13)11-14(18)16(20)17-9-6-10-21-2/h4-5,7-8,14H,3,6,9-11H2,1-2H3,(H,17,20).
What are the key properties of N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide?
N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20954507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).