2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide

C24H29N3O3 — CID 16672399

IUPAC2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN1CCC2(CC1)NC(=O)c1ccccc1O2
InChIInChI=1S/C24H29N3O3/c1-18(11-12-19-7-3-2-4-8-19)25-22(28)17-27-15-13-24(14-16-27)26-23(29)20-9-5-6-10-21(20)30-24/h2-10,18H,11-17H2,1H3,(H,25,28)(H,26,29)
InChIKeyOSHOWEBYMHEWPB-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.74
Rot. Bonds6

About 2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide

2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 16672399) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID16672399
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CN1CCC2(CC1)NC(=O)c1ccccc1O2
InChIInChI=1S/C24H29N3O3/c1-18(11-12-19-7-3-2-4-8-19)25-22(28)17-27-15-13-24(14-16-27)26-23(29)20-9-5-6-10-21(20)30-24/h2-10,18H,11-17H2,1H3,(H,25,28)(H,26,29)
InChIKeyOSHOWEBYMHEWPB-UHFFFAOYSA-N
XLogP2.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide with MolForge

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Related Compounds

1'-(2-methylpropanoyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 53016592
methyl (2R)-2-[(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carbonyl)amino]propanoate
CID 92710344
(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,5'-azepane]-2',4-dione
CID 95792941
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8529187
methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate
CID 8742230
1'-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 51494577
1'-ethylsulfonylspiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
CID 20954795
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2578344
(E)-3-[4-oxo-1'-(2-phenylethyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-6-yl]prop-2-enoic acid
CID 66932294
(2R)-1'-benzylspiro[3H-1,3-benzoxazine-2,3'-piperidine]-4-one
CID 95799880
(2S)-N-cyclobutyl-2-[(2R)-2',4-dioxospiro[3H-1,3-benzoxazine-2,5'-azepane]-1'-yl]propanamide
CID 95793611
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide (CID 16672399) is 2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CN1CCC2(CC1)NC(=O)c1ccccc1O2.
What is the InChIKey of 2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is OSHOWEBYMHEWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18(11-12-19-7-3-2-4-8-19)25-22(28)17-27-15-13-24(14-16-27)26-23(29)20-9-5-6-10-21(20)30-24/h2-10,18H,11-17H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide?
2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 407.51 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-yl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 16672399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).