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

C17H29N3O — CID 83203090

IUPACN-(2-methylpropyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
SMILESCCCNC1CCCc2cn(CC(=O)NCC(C)C)cc21
InChIInChI=1S/C17H29N3O/c1-4-8-18-16-7-5-6-14-10-20(11-15(14)16)12-17(21)19-9-13(2)3/h10-11,13,16,18H,4-9,12H2,1-3H3,(H,19,21)
InChIKeyWEHFCBXMAGLWIH-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.64
Rot. Bonds7

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

N-(2-methylpropyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide (PubChem CID 83203090) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
PubChem CID83203090
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(2-methylpropyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide
SMILESCCCNC1CCCc2cn(CC(=O)NCC(C)C)cc21
InChIInChI=1S/C17H29N3O/c1-4-8-18-16-7-5-6-14-10-20(11-15(14)16)12-17(21)19-9-13(2)3/h10-11,13,16,18H,4-9,12H2,1-3H3,(H,19,21)
InChIKeyWEHFCBXMAGLWIH-UHFFFAOYSA-N
XLogP2.64
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide (CID 83203090) is N-(2-methylpropyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide is CCCNC1CCCc2cn(CC(=O)NCC(C)C)cc21.
What is the InChIKey of N-(2-methylpropyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide?
The InChIKey is WEHFCBXMAGLWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-8-18-16-7-5-6-14-10-20(11-15(14)16)12-17(21)19-9-13(2)3/h10-11,13,16,18H,4-9,12H2,1-3H3,(H,19,21).
What are the key properties of N-(2-methylpropyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide?
N-(2-methylpropyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide has a molecular weight of 291.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-(propylamino)-4,5,6,7-tetrahydroisoindol-2-yl]acetamide is sourced from PubChem (CID 83203090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).