N-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide

C20H20N2O4 — CID 101194711

IUPACN-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide
SMILESO=C1N[C@@H](CCCCNC(=O)c2ccc(-c3ccccc3)cc2)C(=O)O1
InChIInChI=1S/C20H20N2O4/c23-18(21-13-5-4-8-17-19(24)26-20(25)22-17)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,21,23)(H,22,25)/t17-/m0/s1
InChIKeyOBYRUFWGZKZDRJ-KRWDZBQOSA-N
MW352.39 g/mol
LogP2.89
Rot. Bonds7

About N-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide

N-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide (PubChem CID 101194711) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide
PubChem CID101194711
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide
SMILESO=C1N[C@@H](CCCCNC(=O)c2ccc(-c3ccccc3)cc2)C(=O)O1
InChIInChI=1S/C20H20N2O4/c23-18(21-13-5-4-8-17-19(24)26-20(25)22-17)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,21,23)(H,22,25)/t17-/m0/s1
InChIKeyOBYRUFWGZKZDRJ-KRWDZBQOSA-N
XLogP2.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-butyl-4-phenylbenzamide
CID 3637649
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
azanide;dichloroplatinum(2+);bis(4-[4-(2,5-dioxo-1,3-oxazolidin-4-yl)butylamino]-4-oxobutanoic acid)
CID 176586905
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium
CID 7029075
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
N-[2-[(4-phenylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 30797782
N-(3-benzylsulfonylpropyl)-4-phenylbenzamide
CID 55842064
N-(2-cyclopentylsulfanylethyl)-4-phenylbenzamide
CID 100669575
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-[5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]-4-phenylbenzamide
CID 23400721

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide (CID 101194711) is N-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide is O=C1N[C@@H](CCCCNC(=O)c2ccc(-c3ccccc3)cc2)C(=O)O1.
What is the InChIKey of N-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide?
The InChIKey is OBYRUFWGZKZDRJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(21-13-5-4-8-17-19(24)26-20(25)22-17)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h1-3,6-7,9-12,17H,4-5,8,13H2,(H,21,23)(H,22,25)/t17-/m0/s1.
What are the key properties of N-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide?
N-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide has a molecular weight of 352.39 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]butyl]-4-phenylbenzamide is sourced from PubChem (CID 101194711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).