N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide

C18H30N2O4 — CID 99714220

IUPACN-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
SMILESO=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCOCC2(CCOCC2)C1
InChIInChI=1S/C18H30N2O4/c21-17(19-15-3-7-24-16(11-15)14-1-2-14)20-6-10-23-13-18(12-20)4-8-22-9-5-18/h14-16H,1-13H2,(H,19,21)/t15-,16-/m0/s1
InChIKeyWWTYQICTIJVYPY-HOTGVXAUSA-N
MW338.45 g/mol
LogP1.78
Rot. Bonds2

About N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide

N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide (PubChem CID 99714220) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide.

Molecular Properties

Compound NameN-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
PubChem CID99714220
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC NameN-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
SMILESO=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCOCC2(CCOCC2)C1
InChIInChI=1S/C18H30N2O4/c21-17(19-15-3-7-24-16(11-15)14-1-2-14)20-6-10-23-13-18(12-20)4-8-22-9-5-18/h14-16H,1-13H2,(H,19,21)/t15-,16-/m0/s1
InChIKeyWWTYQICTIJVYPY-HOTGVXAUSA-N
XLogP1.78
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
The IUPAC name of N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide (CID 99714220) is N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide.
What is the SMILES notation for N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
The canonical SMILES for N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide is O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCOCC2(CCOCC2)C1.
What is the InChIKey of N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
The InChIKey is WWTYQICTIJVYPY-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H30N2O4/c21-17(19-15-3-7-24-16(11-15)14-1-2-14)20-6-10-23-13-18(12-20)4-8-22-9-5-18/h14-16H,1-13H2,(H,19,21)/t15-,16-/m0/s1.
What are the key properties of N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide?
N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide is sourced from PubChem (CID 99714220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).