(4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide

C18H26N2O2 — CID 15389746

IUPAC(4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide
SMILESCCCN1CCO[C@@H]2c3cc(C(=O)N(C)C)ccc3CC[C@H]21
InChIInChI=1S/C18H26N2O2/c1-4-9-20-10-11-22-17-15-12-14(18(21)19(2)3)6-5-13(15)7-8-16(17)20/h5-6,12,16-17H,4,7-11H2,1-3H3/t16-,17-/m1/s1
InChIKeyUDEAASQJJIGOTN-IAGOWNOFSA-N
MW302.42 g/mol
LogP2.49
Rot. Bonds3

About (4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide

(4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide (PubChem CID 15389746) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide.

Molecular Properties

Compound Name(4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide
PubChem CID15389746
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide
SMILESCCCN1CCO[C@@H]2c3cc(C(=O)N(C)C)ccc3CC[C@H]21
InChIInChI=1S/C18H26N2O2/c1-4-9-20-10-11-22-17-15-12-14(18(21)19(2)3)6-5-13(15)7-8-16(17)20/h5-6,12,16-17H,4,7-11H2,1-3H3/t16-,17-/m1/s1
InChIKeyUDEAASQJJIGOTN-IAGOWNOFSA-N
XLogP2.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide?
The IUPAC name of (4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide (CID 15389746) is (4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide.
What is the SMILES notation for (4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide?
The canonical SMILES for (4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide is CCCN1CCO[C@@H]2c3cc(C(=O)N(C)C)ccc3CC[C@H]21.
What is the InChIKey of (4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide?
The InChIKey is UDEAASQJJIGOTN-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-4-9-20-10-11-22-17-15-12-14(18(21)19(2)3)6-5-13(15)7-8-16(17)20/h5-6,12,16-17H,4,7-11H2,1-3H3/t16-,17-/m1/s1.
What are the key properties of (4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide?
(4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,10bR)-N,N-dimethyl-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxamide is sourced from PubChem (CID 15389746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).