N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride

C18H26ClN3O2 — CID 119477259

IUPACN-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C18H25N3O2.ClH/c19-14-5-7-15(8-6-14)20-17(22)3-1-2-12-4-9-16-13(10-12)11-18(23)21-16;/h4,9-10,14-15H,1-3,5-8,11,19H2,(H,20,22)(H,21,23);1H
InChIKeyGHZZWGSABDTOGS-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.31
Rot. Bonds5

About N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride

N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride (PubChem CID 119477259) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
PubChem CID119477259
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C18H25N3O2.ClH/c19-14-5-7-15(8-6-14)20-17(22)3-1-2-12-4-9-16-13(10-12)11-18(23)21-16;/h4,9-10,14-15H,1-3,5-8,11,19H2,(H,20,22)(H,21,23);1H
InChIKeyGHZZWGSABDTOGS-UHFFFAOYSA-N
XLogP2.31
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119457848
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-(cycloheptylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119620576
N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 56826481
N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119567049
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
N-[(3-hydroxycyclohexyl)methyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 111459777
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119607628
ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate
CID 110768127
5-[3-(cyclopentylamino)propyl]-1,3-dihydroindol-2-one
CID 98016927
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
N-cyclopentyl-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344793

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride (CID 119477259) is N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride is Cl.NC1CCC(NC(=O)CCCc2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
The InChIKey is GHZZWGSABDTOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c19-14-5-7-15(8-6-14)20-17(22)3-1-2-12-4-9-16-13(10-12)11-18(23)21-16;/h4,9-10,14-15H,1-3,5-8,11,19H2,(H,20,22)(H,21,23);1H.
What are the key properties of N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119477259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).