N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide

C28H36N4O4 — CID 42841367

IUPACN-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide
SMILESCCN1CCN(C(=O)C2C(c3ccc(NC(=O)C(C)C)cc3)OC(=O)N2Cc2ccccc2C)CC1
InChIInChI=1S/C28H36N4O4/c1-5-30-14-16-31(17-15-30)27(34)24-25(21-10-12-23(13-11-21)29-26(33)19(2)3)36-28(35)32(24)18-22-9-7-6-8-20(22)4/h6-13,19,24-25H,5,14-18H2,1-4H3,(H,29,33)
InChIKeyHYCNEAVUFUZUGE-UHFFFAOYSA-N
MW492.62 g/mol
LogP3.82
Rot. Bonds7

About N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide

N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide (PubChem CID 42841367) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide
PubChem CID42841367
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC NameN-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide
SMILESCCN1CCN(C(=O)C2C(c3ccc(NC(=O)C(C)C)cc3)OC(=O)N2Cc2ccccc2C)CC1
InChIInChI=1S/C28H36N4O4/c1-5-30-14-16-31(17-15-30)27(34)24-25(21-10-12-23(13-11-21)29-26(33)19(2)3)36-28(35)32(24)18-22-9-7-6-8-20(22)4/h6-13,19,24-25H,5,14-18H2,1-4H3,(H,29,33)
InChIKeyHYCNEAVUFUZUGE-UHFFFAOYSA-N
XLogP3.82
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide
CID 42840686
N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(3-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]furan-2-carboxamide
CID 42841402
N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide
CID 42841219
5-[4-[(4-methylbenzoyl)amino]phenyl]-N-(3-methylbutyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841385
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide
CID 43683732
3-[(4-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42840604
(4S,5R)-3-benzyl-N-(3-fluorophenyl)-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 93201055
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(2-methylphenyl)acetamide
CID 55664598
N-[4-[3-[(3-fluorophenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42841411
3-[(3-fluorophenyl)methyl]-5-[4-(2-methylpropanoylamino)phenyl]-2-oxo-N-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 42841414
4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one
CID 110689081
N-[4-[(4R,5S)-3-[(3-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
CID 93201661

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide (CID 42841367) is N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide is CCN1CCN(C(=O)C2C(c3ccc(NC(=O)C(C)C)cc3)OC(=O)N2Cc2ccccc2C)CC1.
What is the InChIKey of N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide?
The InChIKey is HYCNEAVUFUZUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-5-30-14-16-31(17-15-30)27(34)24-25(21-10-12-23(13-11-21)29-26(33)19(2)3)36-28(35)32(24)18-22-9-7-6-8-20(22)4/h6-13,19,24-25H,5,14-18H2,1-4H3,(H,29,33).
What are the key properties of N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide?
N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide has a molecular weight of 492.62 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 42841367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).