N-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide

C24H27N3O3 — CID 164627635

IUPACN-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H27N3O3/c28-24(20-15-17-7-1-3-9-19(17)26-20)25-11-5-6-12-27-13-14-29-23-18-8-2-4-10-22(18)30-16-21(23)27/h1-4,7-10,15,21,23,26H,5-6,11-14,16H2,(H,25,28)/t21-,23-/m1/s1
InChIKeyULWSKYKKYCILKM-FYYLOGMGSA-N
MW405.50 g/mol
LogP3.51
Rot. Bonds6

About N-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide

N-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide (PubChem CID 164627635) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide
PubChem CID164627635
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1cc2ccccc2[nH]1
InChIInChI=1S/C24H27N3O3/c28-24(20-15-17-7-1-3-9-19(17)26-20)25-11-5-6-12-27-13-14-29-23-18-8-2-4-10-22(18)30-16-21(23)27/h1-4,7-10,15,21,23,26H,5-6,11-14,16H2,(H,25,28)/t21-,23-/m1/s1
InChIKeyULWSKYKKYCILKM-FYYLOGMGSA-N
XLogP3.51
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide (CID 164627635) is N-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide is O=C(NCCCCN1CCO[C@@H]2c3ccccc3OC[C@H]21)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide?
The InChIKey is ULWSKYKKYCILKM-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-24(20-15-17-7-1-3-9-19(17)26-20)25-11-5-6-12-27-13-14-29-23-18-8-2-4-10-22(18)30-16-21(23)27/h1-4,7-10,15,21,23,26H,5-6,11-14,16H2,(H,25,28)/t21-,23-/m1/s1.
What are the key properties of N-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide?
N-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 164627635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).