N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide

C19H26N2O3 — CID 111459777

IUPACN-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESO=C(CCCc1ccc2c(c1)CC(=O)N2)NCC1CCCC(O)C1
InChIInChI=1S/C19H26N2O3/c22-16-5-1-4-14(10-16)12-20-18(23)6-2-3-13-7-8-17-15(9-13)11-19(24)21-17/h7-9,14,16,22H,1-6,10-12H2,(H,20,23)(H,21,24)
InChIKeyWQVWKLFTWFGUIB-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.17
Rot. Bonds6

About N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide

N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide (PubChem CID 111459777) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
PubChem CID111459777
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
SMILESO=C(CCCc1ccc2c(c1)CC(=O)N2)NCC1CCCC(O)C1
InChIInChI=1S/C19H26N2O3/c22-16-5-1-4-14(10-16)12-20-18(23)6-2-3-13-7-8-17-15(9-13)11-19(24)21-17/h7-9,14,16,22H,1-6,10-12H2,(H,20,23)(H,21,24)
InChIKeyWQVWKLFTWFGUIB-UHFFFAOYSA-N
XLogP2.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 56826481
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-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119457848
N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119477259
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 86944935
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
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-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119567049
5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115207779
5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
CID 98016927
5-hydroxy-N-[(3-hydroxycyclohexyl)methyl]pentanamide
CID 106137719

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide (CID 111459777) is N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide is O=C(CCCc1ccc2c(c1)CC(=O)N2)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
The InChIKey is WQVWKLFTWFGUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-16-5-1-4-14(10-16)12-20-18(23)6-2-3-13-7-8-17-15(9-13)11-19(24)21-17/h7-9,14,16,22H,1-6,10-12H2,(H,20,23)(H,21,24).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide?
N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide has a molecular weight of 330.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide is sourced from PubChem (CID 111459777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).