(3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

C19H34N2O2 — CID 124857687

IUPAC(3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESCC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CC[C@H]2CCCC[C@H]21
InChIInChI=1S/C19H34N2O2/c1-19(2,3)17-15(8-6-12-23-17)13-20-18(22)21-11-10-14-7-4-5-9-16(14)21/h14-17H,4-13H2,1-3H3,(H,20,22)/t14-,15-,16-,17-/m1/s1
InChIKeyGNSFEGHOVRMYIN-QBPKDAKJSA-N
MW322.49 g/mol
LogP3.80
Rot. Bonds2

About (3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide

(3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (PubChem CID 124857687) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is (3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.

Molecular Properties

Compound Name(3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
PubChem CID124857687
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name(3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
SMILESCC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CC[C@H]2CCCC[C@H]21
InChIInChI=1S/C19H34N2O2/c1-19(2,3)17-15(8-6-12-23-17)13-20-18(22)21-11-10-14-7-4-5-9-16(14)21/h14-17H,4-13H2,1-3H3,(H,20,22)/t14-,15-,16-,17-/m1/s1
InChIKeyGNSFEGHOVRMYIN-QBPKDAKJSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-N-[(2-tert-butyloxan-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119795864
N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599238
3-[[(2R,3S)-2-tert-butyloxan-3-yl]methyl]-1-cycloheptyl-1-methylurea
CID 99809170
(3aR,7aR)-N-(2-tert-butylsulfonylethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 95968830
N-[(2-tert-butyloxan-3-yl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 86972547
2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 71938909
N-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599234
N-[2-(oxolan-2-yl)ethyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 71990584
3-[(2-tert-butyloxan-3-yl)methylcarbamoyl-methylamino]propanoic acid
CID 122002792
6-[(2-tert-butyloxan-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 119186019
4-(aminomethyl)-N-[(2-tert-butyloxan-3-yl)methyl]benzamide
CID 119330460
1-[(2-tert-butyloxan-3-yl)methyl]-2,3-dimethylguanidine
CID 111428538

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The IUPAC name of (3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide (CID 124857687) is (3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide.
What is the SMILES notation for (3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The canonical SMILES for (3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)N1CC[C@H]2CCCC[C@H]21.
What is the InChIKey of (3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
The InChIKey is GNSFEGHOVRMYIN-QBPKDAKJSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-19(2,3)17-15(8-6-12-23-17)13-20-18(22)21-11-10-14-7-4-5-9-16(14)21/h14-17H,4-13H2,1-3H3,(H,20,22)/t14-,15-,16-,17-/m1/s1.
What are the key properties of (3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide?
(3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide has a molecular weight of 322.49 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide is sourced from PubChem (CID 124857687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).