N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide

C18H25NO4 — CID 129345943

IUPACN-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)c(C)c1
InChIInChI=1S/C18H25NO4/c1-13-11-15(21-2)3-4-16(13)17(20)19-14-5-8-23-18(12-14)6-9-22-10-7-18/h3-4,11,14H,5-10,12H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyZYEPRXQPRIACCS-AWEZNQCLSA-N
MW319.40 g/mol
LogP2.46
Rot. Bonds3

About N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide

N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide (PubChem CID 129345943) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide
PubChem CID129345943
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC NameN-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)c(C)c1
InChIInChI=1S/C18H25NO4/c1-13-11-15(21-2)3-4-16(13)17(20)19-14-5-8-23-18(12-14)6-9-22-10-7-18/h3-4,11,14H,5-10,12H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyZYEPRXQPRIACCS-AWEZNQCLSA-N
XLogP2.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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FAAH Inhibitor, 2e
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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide?
The IUPAC name of N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide (CID 129345943) is N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide is COc1ccc(C(=O)N[C@H]2CCOC3(CCOCC3)C2)c(C)c1.
What is the InChIKey of N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide?
The InChIKey is ZYEPRXQPRIACCS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13-11-15(21-2)3-4-16(13)17(20)19-14-5-8-23-18(12-14)6-9-22-10-7-18/h3-4,11,14H,5-10,12H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide?
N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide has a molecular weight of 319.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 129345943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).