2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide

C20H28N2O3 — CID 118738751

IUPAC2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC(NC(=O)C(C)C)CO3)cc1
InChIInChI=1S/C20H28N2O3/c1-14(2)18(23)21-17-12-20(25-13-17)8-10-22(11-9-20)19(24)16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,21,23)
InChIKeyYEPOZHGHJBEIQI-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.53
Rot. Bonds3

About 2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide

2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide (PubChem CID 118738751) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
PubChem CID118738751
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC(NC(=O)C(C)C)CO3)cc1
InChIInChI=1S/C20H28N2O3/c1-14(2)18(23)21-17-12-20(25-13-17)8-10-22(11-9-20)19(24)16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,21,23)
InChIKeyYEPOZHGHJBEIQI-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide (CID 118738751) is 2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide is Cc1ccc(C(=O)N2CCC3(CC2)CC(NC(=O)C(C)C)CO3)cc1.
What is the InChIKey of 2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
The InChIKey is YEPOZHGHJBEIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14(2)18(23)21-17-12-20(25-13-17)8-10-22(11-9-20)19(24)16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,21,23).
What are the key properties of 2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide?
2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide has a molecular weight of 344.46 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[8-(4-methylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide is sourced from PubChem (CID 118738751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).