N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C20H18N4O5 — CID 51949270

IUPACN-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESC[C@@]1(c2cccc(NC(=O)CN3C(=O)COc4ccccc43)c2)NC(=O)NC1=O
InChIInChI=1S/C20H18N4O5/c1-20(18(27)22-19(28)23-20)12-5-4-6-13(9-12)21-16(25)10-24-14-7-2-3-8-15(14)29-11-17(24)26/h2-9H,10-11H2,1H3,(H,21,25)(H2,22,23,27,28)/t20-/m0/s1
InChIKeyQBEHTZCVCXABOC-FQEVSTJZSA-N
MW394.39 g/mol
LogP1.11
Rot. Bonds4

About N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 51949270) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID51949270
Molecular FormulaC20H18N4O5
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC NameN-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESC[C@@]1(c2cccc(NC(=O)CN3C(=O)COc4ccccc43)c2)NC(=O)NC1=O
InChIInChI=1S/C20H18N4O5/c1-20(18(27)22-19(28)23-20)12-5-4-6-13(9-12)21-16(25)10-24-14-7-2-3-8-15(14)29-11-17(24)26/h2-9H,10-11H2,1H3,(H,21,25)(H2,22,23,27,28)/t20-/m0/s1
InChIKeyQBEHTZCVCXABOC-FQEVSTJZSA-N
XLogP1.11
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfanylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 6460021
N,N-dimethyl-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
CID 30378601
N-(3-methylphenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9038995
N-(4-tert-butylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8779827
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
N-(4-methoxyphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 1455414
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 129368217
2-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 52502832
7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
N-(4-nitrophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18886636
2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylacetamide
CID 18773522
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 8559073

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 51949270) is N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is C[C@@]1(c2cccc(NC(=O)CN3C(=O)COc4ccccc43)c2)NC(=O)NC1=O.
What is the InChIKey of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is QBEHTZCVCXABOC-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18N4O5/c1-20(18(27)22-19(28)23-20)12-5-4-6-13(9-12)21-16(25)10-24-14-7-2-3-8-15(14)29-11-17(24)26/h2-9H,10-11H2,1H3,(H,21,25)(H2,22,23,27,28)/t20-/m0/s1.
What are the key properties of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 394.39 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 51949270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).