N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide

C16H22N2O2 — CID 102861861

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(c1ccc2c(c1)CNC2)N(CCCO)C1CCC1
InChIInChI=1S/C16H22N2O2/c19-8-2-7-18(15-3-1-4-15)16(20)12-5-6-13-10-17-11-14(13)9-12/h5-6,9,15,17,19H,1-4,7-8,10-11H2
InChIKeyIHKDZKXRNNTGEU-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.67
Rot. Bonds5

About N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 102861861) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID102861861
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(c1ccc2c(c1)CNC2)N(CCCO)C1CCC1
InChIInChI=1S/C16H22N2O2/c19-8-2-7-18(15-3-1-4-15)16(20)12-5-6-13-10-17-11-14(13)9-12/h5-6,9,15,17,19H,1-4,7-8,10-11H2
InChIKeyIHKDZKXRNNTGEU-UHFFFAOYSA-N
XLogP1.67
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-ethyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997969
N-(2-cyanoethyl)-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998615
4-amino-3-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102858723
4-amino-3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861629
N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
CID 102866633
4-(bromomethyl)-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102861173
N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 102866210
3-carbamothioyl-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102862491
N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide
CID 102861502
N-cyclobutyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 102866076
cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 116613110
N-cyclopentyl-N-(2-hydroxyethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60953458

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 102861861) is N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide is O=C(c1ccc2c(c1)CNC2)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is IHKDZKXRNNTGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-8-2-7-18(15-3-1-4-15)16(20)12-5-6-13-10-17-11-14(13)9-12/h5-6,9,15,17,19H,1-4,7-8,10-11H2.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 102861861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).