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N-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C19H25N3O3 — CID 118739504

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1cccc(C(=O)N2CCC3(CC(C(=O)N(C)C(C)C)=NO3)C2)c1
InChIInChI=1S/C19H25N3O3/c1-13(2)21(4)18(24)16-11-19(25-20-16)8-9-22(12-19)17(23)15-7-5-6-14(3)10-15/h5-7,10,13H,8-9,11-12H2,1-4H3
InChIKeyFMCNLNGCIVZXGC-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.22
Rot. Bonds3

About N-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

N-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 118739504) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
PubChem CID118739504
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
SMILESCc1cccc(C(=O)N2CCC3(CC(C(=O)N(C)C(C)C)=NO3)C2)c1
InChIInChI=1S/C19H25N3O3/c1-13(2)21(4)18(24)16-11-19(25-20-16)8-9-22(12-19)17(23)15-7-5-6-14(3)10-15/h5-7,10,13H,8-9,11-12H2,1-4H3
InChIKeyFMCNLNGCIVZXGC-UHFFFAOYSA-N
XLogP2.22
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The IUPAC name of N-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 118739504) is N-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.
What is the SMILES notation for N-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The canonical SMILES for N-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1cccc(C(=O)N2CCC3(CC(C(=O)N(C)C(C)C)=NO3)C2)c1.
What is the InChIKey of N-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
The InChIKey is FMCNLNGCIVZXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)21(4)18(24)16-11-19(25-20-16)8-9-22(12-19)17(23)15-7-5-6-14(3)10-15/h5-7,10,13H,8-9,11-12H2,1-4H3.
What are the key properties of N-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?
N-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 118739504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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