N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide

About N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide

N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide (PubChem CID 25329496) has the molecular formula C22H29N5O5 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

Compound Name	N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
PubChem CID	25329496
Molecular Formula	C22H29N5O5
Molecular Weight	443.50 g/mol
Exact Mass	443.22
IUPAC Name	N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
SMILES	CC[C@]1(C)NC(=O)N(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O
InChI	InChI=1S/C22H29N5O5/c1-3-22(2)20(30)27(21(31)23-22)24-18(28)14-26-13-17(19(29)25-11-7-4-8-12-25)32-16-10-6-5-9-15(16)26/h5-6,9-10,17H,3-4,7-8,11-14H2,1-2H3,(H,23,31)(H,24,28)/t17-,22-/m0/s1
InChIKey	FEYOJZLQSVQKAN-JTSKRJEESA-N
XLogP	1.02
TPSA	111.29 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide?

The IUPAC name of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide (CID 25329496) is N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide.

What is the SMILES notation for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide?

The canonical SMILES for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide is CC[C@]1(C)NC(=O)N(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)C1=O.

What is the InChIKey of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide?

The InChIKey is FEYOJZLQSVQKAN-JTSKRJEESA-N. The full InChI is InChI=1S/C22H29N5O5/c1-3-22(2)20(30)27(21(31)23-22)24-18(28)14-26-13-17(19(29)25-11-7-4-8-12-25)32-16-10-6-5-9-15(16)26/h5-6,9-10,17H,3-4,7-8,11-14H2,1-2H3,(H,23,31)(H,24,28)/t17-,22-/m0/s1.

What are the key properties of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide?

N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 443.50 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 25329496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).