2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide

C18H33N3O2 — CID 14182980

IUPAC2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(CCNC(=O)CN1C(=O)C[C@H]2CCCC[C@H]21)C(C)C
InChIInChI=1S/C18H33N3O2/c1-13(2)20(14(3)4)10-9-19-17(22)12-21-16-8-6-5-7-15(16)11-18(21)23/h13-16H,5-12H2,1-4H3,(H,19,22)/t15-,16-/m1/s1
InChIKeyVATWEOXMKVVWJE-HZPDHXFCSA-N
MW323.48 g/mol
LogP2.01
Rot. Bonds7

About 2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide

2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (PubChem CID 14182980) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
PubChem CID14182980
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(CCNC(=O)CN1C(=O)C[C@H]2CCCC[C@H]21)C(C)C
InChIInChI=1S/C18H33N3O2/c1-13(2)20(14(3)4)10-9-19-17(22)12-21-16-8-6-5-7-15(16)11-18(21)23/h13-16H,5-12H2,1-4H3,(H,19,22)/t15-,16-/m1/s1
InChIKeyVATWEOXMKVVWJE-HZPDHXFCSA-N
XLogP2.01
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The IUPAC name of 2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (CID 14182980) is 2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is CC(C)N(CCNC(=O)CN1C(=O)C[C@H]2CCCC[C@H]21)C(C)C.
What is the InChIKey of 2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The InChIKey is VATWEOXMKVVWJE-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-13(2)20(14(3)4)10-9-19-17(22)12-21-16-8-6-5-7-15(16)11-18(21)23/h13-16H,5-12H2,1-4H3,(H,19,22)/t15-,16-/m1/s1.
What are the key properties of 2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide has a molecular weight of 323.48 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,7aR)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-indol-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 14182980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).