N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C19H22N2O4 — CID 146040309

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESO=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C19H22N2O4/c22-15-9-25-17-14(8-24-18(15)17)21-19(23)12-6-3-5-11-10-4-1-2-7-13(10)20-16(11)12/h3,5-6,14-15,17-18,20,22H,1-2,4,7-9H2,(H,21,23)/t14-,15-,17-,18-/m1/s1
InChIKeyJQOALCGHOHCNAX-JOCBIADPSA-N
MW342.40 g/mol
LogP1.30
Rot. Bonds2

About N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 146040309) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID146040309
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESO=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C19H22N2O4/c22-15-9-25-17-14(8-24-18(15)17)21-19(23)12-6-3-5-11-10-4-1-2-7-13(10)20-16(11)12/h3,5-6,14-15,17-18,20,22H,1-2,4,7-9H2,(H,21,23)/t14-,15-,17-,18-/m1/s1
InChIKeyJQOALCGHOHCNAX-JOCBIADPSA-N
XLogP1.30
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide with MolForge

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Related Compounds

N-[2-(2-methylpropanoylamino)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46581679
2-(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonylamino)propanoic acid
CID 23498614
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazol-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 133267951
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-7-fluoro-3-methyl-1H-indole-2-carboxamide
CID 157016049
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 94040968
N-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34979408
N-[(E)-1H-pyrrol-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 135601205
N-[4-(4-methylpiperidin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55814693
methyl 2-[3-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonylamino)phenoxy]acetate
CID 46416882
N-(6-methoxy-3-pyridinyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 34977108
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylbenzamide
CID 155917126
propyl 6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 50888406

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 146040309) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is O=C(N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)c1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is JQOALCGHOHCNAX-JOCBIADPSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-15-9-25-17-14(8-24-18(15)17)21-19(23)12-6-3-5-11-10-4-1-2-7-13(10)20-16(11)12/h3,5-6,14-15,17-18,20,22H,1-2,4,7-9H2,(H,21,23)/t14-,15-,17-,18-/m1/s1.
What are the key properties of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 146040309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).