N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide

C19H24N2O2 — CID 56826481

IUPACN-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESO=C(CCCc1ccc2c(c1)CC(=O)N2)NCC1CC=CCC1
InChIInChI=1S/C19H24N2O2/c22-18(20-13-15-5-2-1-3-6-15)8-4-7-14-9-10-17-16(11-14)12-19(23)21-17/h1-2,9-11,15H,3-8,12-13H2,(H,20,22)(H,21,23)
InChIKeyHOXVWHPNSXEKIF-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.98
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide

N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide (PubChem CID 56826481) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
PubChem CID56826481
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESO=C(CCCc1ccc2c(c1)CC(=O)N2)NCC1CC=CCC1
InChIInChI=1S/C19H24N2O2/c22-18(20-13-15-5-2-1-3-6-15)8-4-7-14-9-10-17-16(11-14)12-19(23)21-17/h1-2,9-11,15H,3-8,12-13H2,(H,20,22)(H,21,23)
InChIKeyHOXVWHPNSXEKIF-UHFFFAOYSA-N
XLogP2.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 111459777
N-[2-(cycloheptylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119620576
N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119502632
N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119477259
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119457848
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 86944935
4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155707
5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115207779
5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
CID 98016927
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 100904249
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 166416504

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide (CID 56826481) is N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide is O=C(CCCc1ccc2c(c1)CC(=O)N2)NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The InChIKey is HOXVWHPNSXEKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18(20-13-15-5-2-1-3-6-15)8-4-7-14-9-10-17-16(11-14)12-19(23)21-17/h1-2,9-11,15H,3-8,12-13H2,(H,20,22)(H,21,23).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide has a molecular weight of 312.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide is sourced from PubChem (CID 56826481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).