N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide

C19H30N2O — CID 166384244

IUPACN-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide
SMILESCCCC(CCC)CC(=O)NCC1c2ccccc2CN1C
InChIInChI=1S/C19H30N2O/c1-4-8-15(9-5-2)12-19(22)20-13-18-17-11-7-6-10-16(17)14-21(18)3/h6-7,10-11,15,18H,4-5,8-9,12-14H2,1-3H3,(H,20,22)
InChIKeyZTQVAHFMLXVHEO-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.90
Rot. Bonds8

About N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide

N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide (PubChem CID 166384244) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide
PubChem CID166384244
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide
SMILESCCCC(CCC)CC(=O)NCC1c2ccccc2CN1C
InChIInChI=1S/C19H30N2O/c1-4-8-15(9-5-2)12-19(22)20-13-18-17-11-7-6-10-16(17)14-21(18)3/h6-7,10-11,15,18H,4-5,8-9,12-14H2,1-3H3,(H,20,22)
InChIKeyZTQVAHFMLXVHEO-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide?
The IUPAC name of N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide (CID 166384244) is N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide.
What is the SMILES notation for N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide?
The canonical SMILES for N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide is CCCC(CCC)CC(=O)NCC1c2ccccc2CN1C.
What is the InChIKey of N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide?
The InChIKey is ZTQVAHFMLXVHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-4-8-15(9-5-2)12-19(22)20-13-18-17-11-7-6-10-16(17)14-21(18)3/h6-7,10-11,15,18H,4-5,8-9,12-14H2,1-3H3,(H,20,22).
What are the key properties of N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide?
N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide has a molecular weight of 302.46 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-3-propylhexanamide is sourced from PubChem (CID 166384244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).