N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

C18H24N4O4 — CID 167872551

IUPACN-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC1NC(=O)OC12CCN(C(=O)NCc1ccc(CC(N)=O)cc1)CC2
InChIInChI=1S/C18H24N4O4/c1-12-18(26-17(25)21-12)6-8-22(9-7-18)16(24)20-11-14-4-2-13(3-5-14)10-15(19)23/h2-5,12H,6-11H2,1H3,(H2,19,23)(H,20,24)(H,21,25)
InChIKeyHKRSVOFVYKOLIK-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.89
Rot. Bonds4

About N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 167872551) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID167872551
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC1NC(=O)OC12CCN(C(=O)NCc1ccc(CC(N)=O)cc1)CC2
InChIInChI=1S/C18H24N4O4/c1-12-18(26-17(25)21-12)6-8-22(9-7-18)16(24)20-11-14-4-2-13(3-5-14)10-15(19)23/h2-5,12H,6-11H2,1H3,(H2,19,23)(H,20,24)(H,21,25)
InChIKeyHKRSVOFVYKOLIK-UHFFFAOYSA-N
XLogP0.89
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (CID 167872551) is N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is CC1NC(=O)OC12CCN(C(=O)NCc1ccc(CC(N)=O)cc1)CC2.
What is the InChIKey of N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is HKRSVOFVYKOLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-12-18(26-17(25)21-12)6-8-22(9-7-18)16(24)20-11-14-4-2-13(3-5-14)10-15(19)23/h2-5,12H,6-11H2,1H3,(H2,19,23)(H,20,24)(H,21,25).
What are the key properties of N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 167872551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).