N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide

C17H27N3O — CID 83203803

IUPACN-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
SMILESCCCNC1CCCc2cn(CC(=O)NCC3CC3)cc21
InChIInChI=1S/C17H27N3O/c1-2-8-18-16-5-3-4-14-10-20(11-15(14)16)12-17(21)19-9-13-6-7-13/h10-11,13,16,18H,2-9,12H2,1H3,(H,19,21)
InChIKeyUQZLTOPFOLEUII-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.39
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide

N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide (PubChem CID 83203803) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
PubChem CID83203803
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
SMILESCCCNC1CCCc2cn(CC(=O)NCC3CC3)cc21
InChIInChI=1S/C17H27N3O/c1-2-8-18-16-5-3-4-14-10-20(11-15(14)16)12-17(21)19-9-13-6-7-13/h10-11,13,16,18H,2-9,12H2,1H3,(H,19,21)
InChIKeyUQZLTOPFOLEUII-UHFFFAOYSA-N
XLogP2.39
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide (CID 83203803) is N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide is CCCNC1CCCc2cn(CC(=O)NCC3CC3)cc21.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide?
The InChIKey is UQZLTOPFOLEUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-8-18-16-5-3-4-14-10-20(11-15(14)16)12-17(21)19-9-13-6-7-13/h10-11,13,16,18H,2-9,12H2,1H3,(H,19,21).
What are the key properties of N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide?
N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide is sourced from PubChem (CID 83203803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).