N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H25N3O4 — CID 10406909

IUPACN-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CCC/C(=C/N(C)C)C3=O)C(=O)O1
InChIInChI=1S/C20H25N3O4/c1-13(24)21-10-17-12-23(20(26)27-17)16-7-8-18-14(9-16)5-4-6-15(19(18)25)11-22(2)3/h7-9,11,17H,4-6,10,12H2,1-3H3,(H,21,24)/b15-11-/t17-/m0/s1
InChIKeyCCJDXTLJPMEUKA-HKBKRHGFSA-N
MW371.44 g/mol
LogP2.11
Rot. Bonds4

About N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10406909) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10406909
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)CCC/C(=C/N(C)C)C3=O)C(=O)O1
InChIInChI=1S/C20H25N3O4/c1-13(24)21-10-17-12-23(20(26)27-17)16-7-8-18-14(9-16)5-4-6-15(19(18)25)11-22(2)3/h7-9,11,17H,4-6,10,12H2,1-3H3,(H,21,24)/b15-11-/t17-/m0/s1
InChIKeyCCJDXTLJPMEUKA-HKBKRHGFSA-N
XLogP2.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]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-[[(5S)-2-oxo-3-[(6Z)-5-oxo-6-(pyridin-4-ylmethylidene)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10319093
N-[[(5S)-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10448522
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5S)-3-[(2R)-1-formyl-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 12971629
N-[[3-(2-acetyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10154607
N-[[3-[6-[(Z)-3-amino-2-aminosulfanylbut-2-enoyl]-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142929355
N-[[(5S)-3-[5-(4-hydroxyfuran-3-yl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-12-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10002335
N-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10110385
N-[[(5R)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-5-(methanesulfonamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10392453
N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18740897
N-[[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54229929
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10406909) is N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCC/C(=C/N(C)C)C3=O)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is CCJDXTLJPMEUKA-HKBKRHGFSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(24)21-10-17-12-23(20(26)27-17)16-7-8-18-14(9-16)5-4-6-15(19(18)25)11-22(2)3/h7-9,11,17H,4-6,10,12H2,1-3H3,(H,21,24)/b15-11-/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[(6Z)-6-(dimethylaminomethylidene)-5-oxo-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10406909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).