N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride

C15H22ClN3O2 — CID 119502632

IUPACN-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
SMILESCNCCNC(=O)CCCc1ccc2c(c1)CC(=O)N2.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-16-7-8-17-14(19)4-2-3-11-5-6-13-12(9-11)10-15(20)18-13;/h5-6,9,16H,2-4,7-8,10H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyXEXQPIISMJNBPA-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.26
Rot. Bonds7

About N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride

N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride (PubChem CID 119502632) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
PubChem CID119502632
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
SMILESCNCCNC(=O)CCCc1ccc2c(c1)CC(=O)N2.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-16-7-8-17-14(19)4-2-3-11-5-6-13-12(9-11)10-15(20)18-13;/h5-6,9,16H,2-4,7-8,10H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyXEXQPIISMJNBPA-UHFFFAOYSA-N
XLogP1.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155707
N-[2-(cycloheptylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119620576
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119607628
N-(cyclohex-3-en-1-ylmethyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 56826481
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 166416504
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydroindol-2-one
CID 115197988
3-(4-fluorophenyl)-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 110788471
3-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 115173941
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 86944935
N-[1-(aminomethyl)cyclopentyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119567049
N-[2-(methylamino)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide;hydrochloride
CID 119501892

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride (CID 119502632) is N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride is CNCCNC(=O)CCCc1ccc2c(c1)CC(=O)N2.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
The InChIKey is XEXQPIISMJNBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-16-7-8-17-14(19)4-2-3-11-5-6-13-12(9-11)10-15(20)18-13;/h5-6,9,16H,2-4,7-8,10H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride?
N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119502632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).