N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide

C19H26N2O2 — CID 20954482

IUPACN-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)N1c2ccccc2CC1C(=O)NC1CCCCCC1
InChIInChI=1S/C19H26N2O2/c1-2-18(22)21-16-12-8-7-9-14(16)13-17(21)19(23)20-15-10-5-3-4-6-11-15/h7-9,12,15,17H,2-6,10-11,13H2,1H3,(H,20,23)
InChIKeyAYTJOHINYUFEJL-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.19
Rot. Bonds3

About N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide

N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide (PubChem CID 20954482) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
PubChem CID20954482
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)N1c2ccccc2CC1C(=O)NC1CCCCCC1
InChIInChI=1S/C19H26N2O2/c1-2-18(22)21-16-12-8-7-9-14(16)13-17(21)19(23)20-15-10-5-3-4-6-11-15/h7-9,12,15,17H,2-6,10-11,13H2,1H3,(H,20,23)
InChIKeyAYTJOHINYUFEJL-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954540
N-cyclopropyl-5-piperidin-1-ylsulfonyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 46344548
N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954495
1-[2-(pyrrolidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954459
N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954507
(2S)-N-cyclooctyl-2-methyl-2,3-dihydroindole-1-carboxamide
CID 67191919
N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954542
1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954539
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982
1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 18587960
N-cycloheptyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108979533
1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 20954460

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide (CID 20954482) is N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide is CCC(=O)N1c2ccccc2CC1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is AYTJOHINYUFEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-2-18(22)21-16-12-8-7-9-14(16)13-17(21)19(23)20-15-10-5-3-4-6-11-15/h7-9,12,15,17H,2-6,10-11,13H2,1H3,(H,20,23).
What are the key properties of N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide?
N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20954482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).