N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide

C26H31N3O4 — CID 93202303

IUPACN-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C26H31N3O4/c1-17-7-9-20(10-8-17)16-29-23(25(31)28-13-11-18(2)12-14-28)24(33-26(29)32)21-5-4-6-22(15-21)27-19(3)30/h4-10,15,18,23-24H,11-14,16H2,1-3H3,(H,27,30)/t23-,24-/m1/s1
InChIKeyKEZFVYUTWHWYCM-DNQXCXABSA-N
MW449.55 g/mol
LogP4.27
Rot. Bonds5

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

N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide (PubChem CID 93202303) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide
PubChem CID93202303
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C26H31N3O4/c1-17-7-9-20(10-8-17)16-29-23(25(31)28-13-11-18(2)12-14-28)24(33-26(29)32)21-5-4-6-22(15-21)27-19(3)30/h4-10,15,18,23-24H,11-14,16H2,1-3H3,(H,27,30)/t23-,24-/m1/s1
InChIKeyKEZFVYUTWHWYCM-DNQXCXABSA-N
XLogP4.27
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[3-benzyl-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42841022
N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]propanamide
CID 42841183
N-[3-[3-[(4-methylphenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide
CID 42841221
N-[3-[4-(4-ethylpiperazine-1-carbonyl)-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-phenylacetamide
CID 42841219
N-[3-[(4S,5S)-3-[(4-methylphenyl)methyl]-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]thiophene-2-carboxamide
CID 93202336
5-(3-acetamidophenyl)-N-cyclopropyl-3-[(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42840936
N-[4-[3-[(3-methylphenyl)methyl]-2-oxo-4-(pyrrolidine-1-carbonyl)-1,3-oxazolidin-5-yl]phenyl]acetamide
CID 42840827
N-[3-[(4R,5S)-3-benzyl-4-(morpholine-4-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-3-methylbenzamide
CID 93202273
5-[3-(butanoylamino)phenyl]-N-cyclopropyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 42841230
N-[4-[3-benzyl-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide
CID 42840686
(4R,5S)-N-(cyclopropylmethyl)-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 93202485
N-butan-2-yl-3-[(4-methylphenyl)methyl]-2-oxo-5-[3-(propanoylamino)phenyl]-1,3-oxazolidine-4-carboxamide
CID 46021310

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide (CID 93202303) is N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide is CC(=O)Nc1cccc([C@H]2OC(=O)N(Cc3ccc(C)cc3)[C@H]2C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide?
The InChIKey is KEZFVYUTWHWYCM-DNQXCXABSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-17-7-9-20(10-8-17)16-29-23(25(31)28-13-11-18(2)12-14-28)24(33-26(29)32)21-5-4-6-22(15-21)27-19(3)30/h4-10,15,18,23-24H,11-14,16H2,1-3H3,(H,27,30)/t23-,24-/m1/s1.
What are the key properties of N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide?
N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide has a molecular weight of 449.55 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R,5R)-3-[(4-methylphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)-2-oxo-1,3-oxazolidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 93202303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).