N-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide

C22H30N2O4 — CID 172666012

IUPACN-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide
SMILESO=C(N[C@H]1C[C@H]2CN(C(=O)C3CCC3)C[C@H]2C[C@@H]1OCC1CC1)c1ccco1
InChIInChI=1S/C22H30N2O4/c25-21(19-5-2-8-27-19)23-18-9-16-11-24(22(26)15-3-1-4-15)12-17(16)10-20(18)28-13-14-6-7-14/h2,5,8,14-18,20H,1,3-4,6-7,9-13H2,(H,23,25)/t16-,17+,18-,20-/m0/s1
InChIKeyKWPJCODAZHNJNU-DMUMMCEESA-N
MW386.49 g/mol
LogP2.84
Rot. Bonds6

About N-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide

N-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide (PubChem CID 172666012) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is N-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide
PubChem CID172666012
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC NameN-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide
SMILESO=C(N[C@H]1C[C@H]2CN(C(=O)C3CCC3)C[C@H]2C[C@@H]1OCC1CC1)c1ccco1
InChIInChI=1S/C22H30N2O4/c25-21(19-5-2-8-27-19)23-18-9-16-11-24(22(26)15-3-1-4-15)12-17(16)10-20(18)28-13-14-6-7-14/h2,5,8,14-18,20H,1,3-4,6-7,9-13H2,(H,23,25)/t16-,17+,18-,20-/m0/s1
InChIKeyKWPJCODAZHNJNU-DMUMMCEESA-N
XLogP2.84
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578
N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide
CID 95624806
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]furan-2-carboxamide
CID 94121408
N-[(3aS,5R,6R,7aR)-6-(cyclopropylmethoxy)-2-(2,6-dimethylpyridine-3-carbonyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172663095
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]furan-2-carboxamide
CID 40617423
N-[4-(2-hydroxyethyl)cyclohexyl]furan-2-carboxamide
CID 115270358
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
[(3aR,5R,6R,7aS)-5-(cyclopropylmethoxy)-6-[4-(methoxymethyl)triazol-1-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-cyclobutylmethanone
CID 175643137
N-[(3aS,5R,6R,7aR)-6-(cyclopropylmethoxy)-2-furo[3,2-c]pyridin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172667004
N-[(3aS,5R,6R,7aR)-2-[2-[3-(2-aminoethoxy)phenyl]acetyl]-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172669358
N-[(1R,2S)-2-tert-butylcyclohexyl]furan-2-carboxamide
CID 27451326
N-cyclooctylfuran-2-carboxamide
CID 790432

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide (CID 172666012) is N-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide is O=C(N[C@H]1C[C@H]2CN(C(=O)C3CCC3)C[C@H]2C[C@@H]1OCC1CC1)c1ccco1.
What is the InChIKey of N-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide?
The InChIKey is KWPJCODAZHNJNU-DMUMMCEESA-N. The full InChI is InChI=1S/C22H30N2O4/c25-21(19-5-2-8-27-19)23-18-9-16-11-24(22(26)15-3-1-4-15)12-17(16)10-20(18)28-13-14-6-7-14/h2,5,8,14-18,20H,1,3-4,6-7,9-13H2,(H,23,25)/t16-,17+,18-,20-/m0/s1.
What are the key properties of N-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide?
N-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide has a molecular weight of 386.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,5S,6S,7aS)-2-(cyclobutanecarbonyl)-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 172666012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).