N-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide

C24H28N2O5 — CID 155409492

IUPACN-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide
SMILESO=C(NCc1ccccc1)C(=O)[C@@H]1CCCCOCCOCc2ccccc2C(=O)N1
InChIInChI=1S/C24H28N2O5/c27-22(24(29)25-16-18-8-2-1-3-9-18)21-12-6-7-13-30-14-15-31-17-19-10-4-5-11-20(19)23(28)26-21/h1-5,8-11,21H,6-7,12-17H2,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyFZUZIDLHOPIEFZ-NRFANRHFSA-N
MW424.50 g/mol
LogP2.39
Rot. Bonds4

About N-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide

N-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide (PubChem CID 155409492) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide
PubChem CID155409492
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC NameN-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide
SMILESO=C(NCc1ccccc1)C(=O)[C@@H]1CCCCOCCOCc2ccccc2C(=O)N1
InChIInChI=1S/C24H28N2O5/c27-22(24(29)25-16-18-8-2-1-3-9-18)21-12-6-7-13-30-14-15-31-17-19-10-4-5-11-20(19)23(28)26-21/h1-5,8-11,21H,6-7,12-17H2,(H,25,29)(H,26,28)/t21-/m0/s1
InChIKeyFZUZIDLHOPIEFZ-NRFANRHFSA-N
XLogP2.39
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-oxo-2-(13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl)acetate
CID 145437829
2-cyclobutylidene-N-[(2,4-dimethoxyphenyl)methyl]-2-(13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl)acetamide
CID 145437809
N-[2-(4-chlorophenyl)ethyl]-2-oxo-2-[(8Z)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide
CID 145437948
N-cyclopropyl-2-oxo-2-[(8E)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide
CID 145438051
12-oxo-3-oxa-11-azabicyclo[11.4.0]heptadeca-1(17),13,15-triene-10-carbaldehyde
CID 145437466
(4R)-4-benzyl-1,3,4,5-tetrahydro-2,5-benzoxazocin-6-one
CID 97102711
(3S)-N-(oxan-4-ylmethyl)-1-oxo-3,4-dihydro-2H-isoquinoline-3-carboxamide
CID 125167141
2-cyclobutylidene-N-cyclopropyl-2-[(8Z)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),8,14,16-tetraen-11-yl]acetamide
CID 145437917
methyl 2-[(4S)-2-oxo-9-oxa-3-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl]propanoate
CID 145437835
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
(11S,16S)-N,11-dibenzyl-9-methyl-10,13,18-trioxo-2-oxa-9,12,17-triazabicyclo[17.4.0]tricosa-1(23),19,21-triene-16-carboxamide
CID 155998874

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide?
The IUPAC name of N-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide (CID 155409492) is N-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide.
What is the SMILES notation for N-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide?
The canonical SMILES for N-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide is O=C(NCc1ccccc1)C(=O)[C@@H]1CCCCOCCOCc2ccccc2C(=O)N1.
What is the InChIKey of N-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide?
The InChIKey is FZUZIDLHOPIEFZ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N2O5/c27-22(24(29)25-16-18-8-2-1-3-9-18)21-12-6-7-13-30-14-15-31-17-19-10-4-5-11-20(19)23(28)26-21/h1-5,8-11,21H,6-7,12-17H2,(H,25,29)(H,26,28)/t21-/m0/s1.
What are the key properties of N-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide?
N-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide has a molecular weight of 424.50 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-oxo-2-[(11S)-13-oxo-3,6-dioxa-12-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-11-yl]acetamide is sourced from PubChem (CID 155409492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).