N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide

C19H28N2O3 — CID 91143766

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide
SMILESCCn1c(O)c2c(c1O)CC(C(=O)NCC1CC3CCC1C3)CC2
InChIInChI=1S/C19H28N2O3/c1-2-21-18(23)15-6-5-13(9-16(15)19(21)24)17(22)20-10-14-8-11-3-4-12(14)7-11/h11-14,23-24H,2-10H2,1H3,(H,20,22)
InChIKeyZADYAPALDPNXFT-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.58
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide (PubChem CID 91143766) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide
PubChem CID91143766
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide
SMILESCCn1c(O)c2c(c1O)CC(C(=O)NCC1CC3CCC1C3)CC2
InChIInChI=1S/C19H28N2O3/c1-2-21-18(23)15-6-5-13(9-16(15)19(21)24)17(22)20-10-14-8-11-3-4-12(14)7-11/h11-14,23-24H,2-10H2,1H3,(H,20,22)
InChIKeyZADYAPALDPNXFT-UHFFFAOYSA-N
XLogP2.58
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide (CID 91143766) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide is CCn1c(O)c2c(c1O)CC(C(=O)NCC1CC3CCC1C3)CC2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide?
The InChIKey is ZADYAPALDPNXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-21-18(23)15-6-5-13(9-16(15)19(21)24)17(22)20-10-14-8-11-3-4-12(14)7-11/h11-14,23-24H,2-10H2,1H3,(H,20,22).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-ethyl-1,3-dihydroxy-4,5,6,7-tetrahydroisoindole-5-carboxamide is sourced from PubChem (CID 91143766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).